REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2b7o_1_A DATA FIRST_RESID -1 DATA SEQUENCE GAXNWTVDIP IDQLPSLPPL PTDLRTRLDA ALAKPAAQQP TWPADQALAX DATA SEQUENCE RTVLESVPPV TVPSEIVRLQ EQLAQVAKGE AFLLQGGDCA ETFXDNTEPH DATA SEQUENCE IRGNVRALLQ XAVVLTYGAS XPVVKVARIA GQYAKPRSAD IDALGLRSYR DATA SEQUENCE GDXINGFAPD AAAREHDPSR LVRAYANASA AXNLVRALTS SGLASLHLVH DATA SEQUENCE DWNREFVRTS PAGARYEALA TEIDRGLRFX SACGVADRNL QTAEIYASHE DATA SEQUENCE ALVLDYERAX LRLSDGDDGE PQLFDLSAHT VWIGERTRQI DGAHIAFAQV DATA SEQUENCE IANPVGVKLG PNXTPELAVE YVERLDPHNK PGRLTLVSRX GNHKVRDLLP DATA SEQUENCE PIVEKVQATG HQVIWQCDPX HGNTHESSTG FKTRHFDRIV DEVQGFFEVH DATA SEQUENCE RALGTHPGGI HVEITGENVT XXXXXXXXXX XXXLAGRYET ACDPRLNTQQ DATA SEQUENCE SLELAFLVAE XLRD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -1 G C 0.000 174.814 174.900 -0.144 0.000 0.946 -1 G CA 0.000 45.056 45.100 -0.073 0.000 0.502 3 W N 0.786 122.091 121.300 0.008 0.000 4.034 3 W HA -0.201 4.459 4.660 -0.000 0.000 0.345 3 W C -0.618 175.908 176.519 0.011 0.000 1.308 3 W CA 0.821 58.171 57.345 0.009 0.000 0.740 3 W CB -2.206 27.261 29.460 0.010 0.000 2.404 3 W HN -0.082 nan 8.180 nan 0.000 1.353 4 T N 0.077 114.691 114.554 0.101 0.000 2.876 4 T HA 0.642 4.992 4.350 -0.000 0.000 0.289 4 T C -0.082 174.627 174.700 0.015 0.000 1.014 4 T CA -0.320 61.824 62.100 0.073 0.000 0.986 4 T CB 2.297 71.207 68.868 0.070 0.000 1.021 4 T HN 0.197 nan 8.240 nan 0.000 0.458 5 V N -0.021 119.903 119.914 0.017 0.000 2.513 5 V HA 0.717 4.837 4.120 -0.000 0.000 0.299 5 V C -1.036 175.057 176.094 -0.002 0.000 1.035 5 V CA -0.930 61.366 62.300 -0.006 0.000 0.889 5 V CB 1.861 33.676 31.823 -0.012 0.000 0.988 5 V HN 0.716 nan 8.190 nan 0.000 0.440 6 D N 5.546 125.940 120.400 -0.010 0.000 2.329 6 D HA 0.465 5.105 4.640 -0.000 0.000 0.232 6 D C -0.289 176.001 176.300 -0.016 0.000 1.088 6 D CA -0.098 53.896 54.000 -0.009 0.000 0.835 6 D CB 1.785 42.579 40.800 -0.009 0.000 1.078 6 D HN 0.451 nan 8.370 nan 0.000 0.495 7 I N 3.540 124.099 120.570 -0.019 0.000 2.307 7 I HA 0.231 4.401 4.170 -0.000 0.000 0.289 7 I C -1.908 174.196 176.117 -0.022 0.000 1.021 7 I CA -2.150 59.136 61.300 -0.023 0.000 1.224 7 I CB 0.183 38.165 38.000 -0.030 0.000 1.376 7 I HN -0.033 nan 8.210 nan 0.000 0.470 8 P HA 0.214 nan 4.420 nan 0.000 0.266 8 P C -0.284 177.003 177.300 -0.021 0.000 1.195 8 P CA 0.010 63.098 63.100 -0.020 0.000 0.768 8 P CB 0.614 32.303 31.700 -0.018 0.000 0.838 9 I N 2.864 123.420 120.570 -0.024 0.000 2.297 9 I HA 0.104 4.274 4.170 -0.000 0.000 0.291 9 I C 0.453 176.555 176.117 -0.024 0.000 1.033 9 I CA -0.418 60.867 61.300 -0.025 0.000 1.253 9 I CB 0.450 38.430 38.000 -0.033 0.000 1.396 9 I HN 0.219 nan 8.210 nan 0.000 0.476 10 D N 7.780 128.168 120.400 -0.020 0.000 2.450 10 D HA 0.003 4.643 4.640 -0.000 0.000 0.247 10 D C -0.120 176.166 176.300 -0.025 0.000 1.162 10 D CA 0.255 54.244 54.000 -0.019 0.000 0.879 10 D CB 0.853 41.644 40.800 -0.015 0.000 1.163 10 D HN 0.505 nan 8.370 nan 0.000 0.472 11 Q N 2.749 122.534 119.800 -0.024 0.000 2.406 11 Q HA 0.374 4.714 4.340 -0.000 0.000 0.242 11 Q C -0.200 175.785 176.000 -0.024 0.000 1.036 11 Q CA -0.157 55.630 55.803 -0.027 0.000 0.904 11 Q CB 1.058 29.782 28.738 -0.025 0.000 1.244 11 Q HN 0.312 nan 8.270 nan 0.000 0.478 12 L N 2.729 123.935 121.223 -0.027 0.000 2.322 12 L HA 0.556 4.896 4.340 -0.000 0.000 0.269 12 L C -1.993 174.862 176.870 -0.025 0.000 1.012 12 L CA -2.465 52.360 54.840 -0.024 0.000 0.815 12 L CB 0.895 42.940 42.059 -0.025 0.000 1.295 12 L HN 0.373 nan 8.230 nan 0.000 0.438 13 P HA 0.040 nan 4.420 nan 0.000 0.264 13 P C -0.625 176.661 177.300 -0.024 0.000 1.183 13 P CA -0.172 62.916 63.100 -0.020 0.000 0.763 13 P CB 0.439 32.130 31.700 -0.016 0.000 0.807 14 S N 2.800 118.486 115.700 -0.024 0.000 2.580 14 S HA 0.310 4.779 4.470 -0.000 0.000 0.274 14 S C 0.241 174.827 174.600 -0.023 0.000 1.329 14 S CA -0.805 57.379 58.200 -0.027 0.000 1.036 14 S CB 0.317 63.502 63.200 -0.025 0.000 0.919 14 S HN 0.265 nan 8.310 nan 0.000 0.515 15 L N 1.496 122.704 121.223 -0.025 0.000 2.468 15 L HA 0.411 4.751 4.340 -0.000 0.000 0.254 15 L C -1.906 174.954 176.870 -0.016 0.000 1.171 15 L CA -2.269 52.559 54.840 -0.020 0.000 0.809 15 L CB -0.376 41.669 42.059 -0.023 0.000 1.155 15 L HN 0.490 nan 8.230 nan 0.000 0.473 16 P HA 0.080 nan 4.420 nan 0.000 0.266 16 P C -2.348 174.946 177.300 -0.010 0.000 1.195 16 P CA -0.667 62.428 63.100 -0.010 0.000 0.768 16 P CB -0.399 31.297 31.700 -0.007 0.000 0.838 17 P HA 0.108 nan 4.420 nan 0.000 0.272 17 P C -0.114 177.184 177.300 -0.003 0.000 1.240 17 P CA -0.240 62.855 63.100 -0.007 0.000 0.791 17 P CB 0.626 32.322 31.700 -0.005 0.000 0.978 18 L N 1.358 122.580 121.223 -0.001 0.000 2.492 18 L HA 0.097 4.437 4.340 -0.000 0.000 0.280 18 L C -1.734 175.137 176.870 0.002 0.000 1.240 18 L CA -1.544 53.297 54.840 0.002 0.000 0.831 18 L CB -0.933 41.128 42.059 0.005 0.000 1.100 18 L HN 0.294 nan 8.230 nan 0.000 0.505 19 P HA 0.000 nan 4.420 nan 0.000 0.266 19 P C 0.555 177.854 177.300 -0.000 0.000 1.195 19 P CA 0.020 63.121 63.100 0.001 0.000 0.768 19 P CB 0.470 32.171 31.700 0.002 0.000 0.838 20 T N 0.778 115.332 114.554 -0.001 0.000 2.737 20 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 20 T C 1.224 175.923 174.700 -0.002 0.000 1.040 20 T CA 2.081 64.181 62.100 -0.001 0.000 1.142 20 T CB -0.707 68.160 68.868 -0.000 0.000 0.861 20 T HN 0.641 nan 8.240 nan 0.000 0.456 21 D N 1.442 121.841 120.400 -0.003 0.000 2.123 21 D HA -0.052 4.588 4.640 -0.000 0.000 0.200 21 D C 2.110 178.405 176.300 -0.008 0.000 0.976 21 D CA 0.786 54.784 54.000 -0.005 0.000 0.831 21 D CB -0.877 39.920 40.800 -0.005 0.000 0.974 21 D HN 0.356 nan 8.370 nan 0.000 0.469 22 L N -0.286 120.931 121.223 -0.010 0.000 2.093 22 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 22 L C 2.937 179.799 176.870 -0.014 0.000 1.085 22 L CA 0.861 55.691 54.840 -0.017 0.000 0.755 22 L CB -0.329 41.719 42.059 -0.019 0.000 0.904 22 L HN -0.080 nan 8.230 nan 0.000 0.435 23 R N -0.521 119.976 120.500 -0.005 0.000 2.081 23 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 23 R C 2.330 178.632 176.300 0.003 0.000 1.131 23 R CA 1.909 58.010 56.100 0.001 0.000 0.960 23 R CB -0.502 29.800 30.300 0.004 0.000 0.856 23 R HN 0.318 nan 8.270 nan 0.000 0.436 24 T N 0.349 114.904 114.554 0.000 0.000 2.684 24 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 24 T C 1.757 176.457 174.700 -0.000 0.000 1.036 24 T CA 1.428 63.529 62.100 0.001 0.000 1.148 24 T CB -0.145 68.723 68.868 -0.000 0.000 0.863 24 T HN 0.256 nan 8.240 nan 0.000 0.436 25 R N 0.419 120.915 120.500 -0.007 0.000 2.073 25 R HA 0.062 4.402 4.340 -0.000 0.000 0.234 25 R C 2.495 178.789 176.300 -0.010 0.000 1.134 25 R CA 0.901 56.993 56.100 -0.012 0.000 0.952 25 R CB -0.596 29.689 30.300 -0.024 0.000 0.850 25 R HN 0.229 nan 8.270 nan 0.000 0.433 26 L N 1.221 122.438 121.223 -0.009 0.000 2.012 26 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 26 L C 1.049 177.938 176.870 0.031 0.000 1.073 26 L CA 2.015 56.861 54.840 0.009 0.000 0.748 26 L CB -0.693 41.375 42.059 0.015 0.000 0.891 26 L HN 0.260 nan 8.230 nan 0.000 0.431 27 D N 0.153 120.567 120.400 0.023 0.000 2.123 27 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 27 D C 2.197 178.510 176.300 0.022 0.000 0.992 27 D CA 1.491 55.506 54.000 0.024 0.000 0.833 27 D CB 0.008 40.818 40.800 0.018 0.000 0.954 27 D HN 0.443 nan 8.370 nan 0.000 0.455 28 A N 1.060 123.889 122.820 0.015 0.000 1.902 28 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 28 A C 2.330 179.926 177.584 0.019 0.000 1.181 28 A CA 2.297 54.343 52.037 0.013 0.000 0.623 28 A CB -0.720 18.285 19.000 0.007 0.000 0.818 28 A HN 0.244 nan 8.150 nan 0.000 0.443 29 A N -0.532 122.301 122.820 0.022 0.000 1.902 29 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 29 A C 2.009 179.620 177.584 0.045 0.000 1.181 29 A CA 1.428 53.486 52.037 0.034 0.000 0.623 29 A CB -0.475 18.546 19.000 0.035 0.000 0.818 29 A HN 0.461 nan 8.150 nan 0.000 0.443 30 L N -0.862 120.390 121.223 0.049 0.000 2.591 30 L HA 0.063 4.403 4.340 -0.000 0.000 0.228 30 L C 2.587 179.470 176.870 0.022 0.000 1.133 30 L CA 0.424 55.287 54.840 0.038 0.000 0.880 30 L CB -0.198 41.893 42.059 0.052 0.000 1.033 30 L HN 0.421 nan 8.230 nan 0.000 0.450 31 A N -0.063 122.771 122.820 0.023 0.000 2.121 31 A HA -0.064 4.255 4.320 -0.000 0.000 0.218 31 A C 1.099 178.694 177.584 0.018 0.000 1.154 31 A CA 0.556 52.604 52.037 0.019 0.000 0.679 31 A CB -0.225 18.786 19.000 0.017 0.000 0.795 31 A HN 0.261 nan 8.150 nan 0.000 0.458 32 K N 0.984 121.395 120.400 0.020 0.000 2.258 32 K HA 0.267 4.587 4.320 -0.000 0.000 0.264 32 K C -2.475 174.138 176.600 0.022 0.000 1.007 32 K CA -1.644 54.657 56.287 0.023 0.000 0.941 32 K CB 0.156 32.675 32.500 0.032 0.000 0.966 32 K HN 0.169 nan 8.250 nan 0.000 0.480 33 P HA 0.071 nan 4.420 nan 0.000 0.271 33 P C -1.433 175.894 177.300 0.046 0.000 1.218 33 P CA -0.343 62.775 63.100 0.030 0.000 0.780 33 P CB 0.974 32.693 31.700 0.032 0.000 0.901 34 A N 2.011 124.856 122.820 0.043 0.000 2.311 34 A HA 0.646 4.966 4.320 -0.000 0.000 0.306 34 A C 0.136 177.790 177.584 0.116 0.000 1.189 34 A CA -0.726 51.363 52.037 0.087 0.000 0.791 34 A CB 0.849 19.834 19.000 -0.025 0.000 1.172 34 A HN 0.627 nan 8.150 nan 0.000 0.481 35 A N 2.013 124.924 122.820 0.152 0.000 2.346 35 A HA 0.530 4.849 4.320 -0.000 0.000 0.252 35 A C 0.743 178.361 177.584 0.058 0.000 1.089 35 A CA 0.069 52.146 52.037 0.067 0.000 0.797 35 A CB -0.013 18.997 19.000 0.017 0.000 1.047 35 A HN 1.269 nan 8.150 nan 0.000 0.494 36 Q N -1.382 118.415 119.800 -0.005 0.000 2.494 36 Q HA -0.145 4.195 4.340 -0.000 0.000 0.266 36 Q C -0.504 175.467 176.000 -0.050 0.000 1.053 36 Q CA 1.039 56.818 55.803 -0.040 0.000 1.029 36 Q CB -1.609 27.081 28.738 -0.080 0.000 1.423 36 Q HN 0.819 nan 8.270 nan 0.000 0.516 37 Q N 0.471 120.245 119.800 -0.044 0.000 2.259 37 Q HA 0.452 4.792 4.340 -0.000 0.000 0.246 37 Q C -1.852 174.023 176.000 -0.209 0.000 0.920 37 Q CA -1.781 53.958 55.803 -0.107 0.000 0.895 37 Q CB 0.307 29.002 28.738 -0.071 0.000 1.220 37 Q HN 0.034 nan 8.270 nan 0.000 0.439 38 P HA -0.014 nan 4.420 nan 0.000 0.269 38 P C 0.391 177.429 177.300 -0.436 0.000 1.217 38 P CA 0.246 62.980 63.100 -0.610 0.000 0.783 38 P CB 0.389 30.973 31.700 -1.860 0.000 0.898 39 T N -3.352 111.098 114.554 -0.173 0.000 3.145 39 T HA 0.154 4.504 4.350 -0.000 0.000 0.255 39 T C 0.153 174.831 174.700 -0.037 0.000 1.039 39 T CA -0.680 61.315 62.100 -0.175 0.000 0.928 39 T CB -0.838 67.882 68.868 -0.247 0.000 1.029 39 T HN 0.400 nan 8.240 nan 0.000 0.554 40 W N 2.038 123.394 121.300 0.094 0.000 2.148 40 W HA 0.568 5.228 4.660 -0.000 0.000 0.347 40 W C -2.796 173.745 176.519 0.038 0.000 1.288 40 W CA -3.248 54.137 57.345 0.067 0.000 1.252 40 W CB -1.100 28.416 29.460 0.093 0.000 1.156 40 W HN -0.078 nan 8.180 nan 0.000 0.580 41 P HA 0.192 nan 4.420 nan 0.000 0.271 41 P C 0.700 178.110 177.300 0.183 0.000 1.218 41 P CA 0.272 63.484 63.100 0.186 0.000 0.780 41 P CB 0.800 32.564 31.700 0.107 0.000 0.901 42 A N 2.733 125.634 122.820 0.135 0.000 1.940 42 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 42 A C 1.752 179.368 177.584 0.053 0.000 1.176 42 A CA 2.061 54.161 52.037 0.106 0.000 0.631 42 A CB -1.149 17.897 19.000 0.077 0.000 0.814 42 A HN 0.692 nan 8.150 nan 0.000 0.446 43 D N -0.528 119.894 120.400 0.036 0.000 2.149 43 D HA -0.187 4.452 4.640 -0.000 0.000 0.201 43 D C 1.820 178.107 176.300 -0.022 0.000 0.972 43 D CA 1.523 55.528 54.000 0.008 0.000 0.835 43 D CB -0.767 40.038 40.800 0.008 0.000 0.966 43 D HN 0.618 nan 8.370 nan 0.000 0.476 44 Q N 0.467 120.247 119.800 -0.033 0.000 2.046 44 Q HA 0.014 4.354 4.340 -0.000 0.000 0.200 44 Q C 2.496 178.384 176.000 -0.187 0.000 0.975 44 Q CA 1.568 57.313 55.803 -0.098 0.000 0.836 44 Q CB -0.275 28.406 28.738 -0.095 0.000 0.896 44 Q HN 0.394 nan 8.270 nan 0.000 0.428 45 A N 1.416 124.111 122.820 -0.208 0.000 1.892 45 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 45 A C 2.062 179.580 177.584 -0.109 0.000 1.188 45 A CA 1.300 53.194 52.037 -0.238 0.000 0.631 45 A CB -0.968 18.038 19.000 0.009 0.000 0.822 45 A HN 0.409 nan 8.150 nan 0.000 0.447 46 L N -0.841 120.355 121.223 -0.046 0.000 2.012 46 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 46 L C 1.996 178.834 176.870 -0.053 0.000 1.073 46 L CA 1.017 55.838 54.840 -0.031 0.000 0.748 46 L CB -0.812 41.240 42.059 -0.012 0.000 0.891 46 L HN 0.513 nan 8.230 nan 0.000 0.431 50 T N 1.731 116.247 114.554 -0.063 0.000 2.720 50 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 50 T C 1.838 176.493 174.700 -0.075 0.000 1.037 50 T CA 1.824 63.888 62.100 -0.060 0.000 1.144 50 T CB -0.176 68.663 68.868 -0.048 0.000 0.864 50 T HN -0.043 nan 8.240 nan 0.000 0.444 51 V N 1.414 121.279 119.914 -0.081 0.000 2.252 51 V HA -0.135 3.985 4.120 -0.000 0.000 0.249 51 V C 2.358 178.369 176.094 -0.138 0.000 1.056 51 V CA 1.383 63.627 62.300 -0.092 0.000 1.022 51 V CB -0.586 31.188 31.823 -0.082 0.000 0.641 51 V HN 0.343 nan 8.190 nan 0.000 0.445 52 L N -0.356 120.771 121.223 -0.160 0.000 2.465 52 L HA -0.022 4.318 4.340 -0.000 0.000 0.224 52 L C 2.228 178.960 176.870 -0.230 0.000 1.145 52 L CA 1.302 55.988 54.840 -0.256 0.000 0.834 52 L CB -1.204 40.718 42.059 -0.227 0.000 0.944 52 L HN 0.443 nan 8.230 nan 0.000 0.451 53 E N -1.101 119.011 120.200 -0.147 0.000 2.347 53 E HA -0.094 4.256 4.350 -0.000 0.000 0.196 53 E C 1.639 178.177 176.600 -0.103 0.000 1.008 53 E CA 1.057 57.392 56.400 -0.109 0.000 0.852 53 E CB 0.190 29.849 29.700 -0.070 0.000 0.783 53 E HN 0.511 nan 8.360 nan 0.000 0.505 54 S N -0.611 115.017 115.700 -0.119 0.000 2.603 54 S HA 0.099 4.569 4.470 -0.000 0.000 0.232 54 S C 0.681 175.217 174.600 -0.106 0.000 1.016 54 S CA -0.448 57.697 58.200 -0.092 0.000 0.976 54 S CB -0.108 63.052 63.200 -0.067 0.000 0.921 54 S HN 0.074 nan 8.310 nan 0.000 0.516 55 V N 0.157 119.960 119.914 -0.185 0.000 2.924 55 V HA 0.517 4.637 4.120 -0.000 0.000 0.305 55 V C -2.767 173.270 176.094 -0.095 0.000 1.073 55 V CA -2.040 60.141 62.300 -0.198 0.000 1.098 55 V CB -0.619 30.876 31.823 -0.545 0.000 1.000 55 V HN 0.026 nan 8.190 nan 0.000 0.484 56 P HA 0.253 nan 4.420 nan 0.000 0.266 56 P C -2.457 174.919 177.300 0.128 0.000 1.195 56 P CA -0.656 62.488 63.100 0.075 0.000 0.768 56 P CB -0.288 31.475 31.700 0.104 0.000 0.838 57 P HA 0.042 nan 4.420 nan 0.000 0.274 57 P C 0.458 177.840 177.300 0.137 0.000 1.256 57 P CA -0.192 62.961 63.100 0.089 0.000 0.795 57 P CB 0.905 32.623 31.700 0.030 0.000 1.038 58 V N -0.465 119.533 119.914 0.139 0.000 2.535 58 V HA -0.017 4.103 4.120 -0.000 0.000 0.246 58 V C 1.540 177.638 176.094 0.007 0.000 1.045 58 V CA 2.202 64.558 62.300 0.094 0.000 1.058 58 V CB -0.854 31.041 31.823 0.120 0.000 0.689 58 V HN 0.813 nan 8.190 nan 0.000 0.461 59 T N -1.350 113.176 114.554 -0.047 0.000 2.910 59 T HA 0.730 5.080 4.350 -0.000 0.000 0.287 59 T C -0.721 173.956 174.700 -0.039 0.000 1.050 59 T CA -0.240 61.790 62.100 -0.116 0.000 1.011 59 T CB 2.070 70.660 68.868 -0.464 0.000 1.195 59 T HN 0.296 nan 8.240 nan 0.000 0.540 60 V N -2.020 117.890 119.914 -0.007 0.000 2.914 60 V HA 0.614 4.734 4.120 -0.000 0.000 0.314 60 V C -2.383 173.630 176.094 -0.134 0.000 1.084 60 V CA -2.618 59.647 62.300 -0.058 0.000 0.963 60 V CB 1.400 33.203 31.823 -0.034 0.000 1.025 60 V HN 0.604 nan 8.190 nan 0.000 0.432 61 P HA -0.163 nan 4.420 nan 0.000 0.216 61 P C 1.974 179.051 177.300 -0.371 0.000 1.153 61 P CA 2.518 65.166 63.100 -0.754 0.000 0.858 61 P CB 0.073 31.186 31.700 -0.979 0.000 0.789 62 S N -0.434 115.161 115.700 -0.175 0.000 2.399 62 S HA -0.206 4.263 4.470 -0.000 0.000 0.231 62 S C 1.834 176.452 174.600 0.029 0.000 1.022 62 S CA 1.253 59.421 58.200 -0.053 0.000 0.983 62 S CB -1.212 61.971 63.200 -0.028 0.000 0.803 62 S HN 0.254 nan 8.310 nan 0.000 0.480 63 E N 1.098 121.348 120.200 0.082 0.000 2.150 63 E HA 0.006 4.356 4.350 -0.000 0.000 0.193 63 E C 1.969 178.700 176.600 0.219 0.000 0.985 63 E CA 1.310 57.828 56.400 0.197 0.000 0.814 63 E CB -0.350 29.549 29.700 0.332 0.000 0.752 63 E HN 0.621 nan 8.360 nan 0.000 0.466 64 I N 0.816 121.502 120.570 0.194 0.000 2.286 64 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 64 I C 2.670 178.878 176.117 0.152 0.000 1.104 64 I CA 0.632 62.058 61.300 0.210 0.000 1.397 64 I CB -0.337 37.843 38.000 0.300 0.000 1.072 64 I HN 0.076 nan 8.210 nan 0.000 0.417 65 V N 0.533 120.533 119.914 0.144 0.000 2.490 65 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 65 V C 2.676 178.805 176.094 0.058 0.000 1.061 65 V CA 1.828 64.200 62.300 0.119 0.000 1.064 65 V CB -0.625 31.275 31.823 0.128 0.000 0.670 65 V HN 0.323 nan 8.190 nan 0.000 0.461 66 R N 0.409 120.944 120.500 0.058 0.000 2.073 66 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 66 R C 2.068 178.361 176.300 -0.011 0.000 1.134 66 R CA 2.389 58.521 56.100 0.053 0.000 0.952 66 R CB -1.290 29.073 30.300 0.105 0.000 0.850 66 R HN 0.607 nan 8.270 nan 0.000 0.433 67 L N 0.611 121.758 121.223 -0.127 0.000 2.017 67 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 67 L C 2.252 178.997 176.870 -0.209 0.000 1.073 67 L CA 2.196 56.781 54.840 -0.424 0.000 0.745 67 L CB -0.975 40.628 42.059 -0.759 0.000 0.894 67 L HN 0.311 nan 8.230 nan 0.000 0.432 68 Q N 0.241 119.983 119.800 -0.096 0.000 2.096 68 Q HA -0.284 4.055 4.340 -0.000 0.000 0.208 68 Q C 2.066 178.042 176.000 -0.039 0.000 0.993 68 Q CA 2.527 58.302 55.803 -0.047 0.000 0.862 68 Q CB -0.302 28.441 28.738 0.008 0.000 0.915 68 Q HN 0.699 nan 8.270 nan 0.000 0.416 69 E N -0.471 119.715 120.200 -0.022 0.000 2.077 69 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 69 E C 2.168 178.757 176.600 -0.019 0.000 0.989 69 E CA 1.395 57.789 56.400 -0.011 0.000 0.800 69 E CB -0.110 29.594 29.700 0.006 0.000 0.746 69 E HN 0.532 nan 8.360 nan 0.000 0.452 70 Q N -0.079 119.702 119.800 -0.032 0.000 2.172 70 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 70 Q C 1.918 177.893 176.000 -0.041 0.000 0.964 70 Q CA 0.580 56.369 55.803 -0.024 0.000 0.855 70 Q CB 0.119 28.853 28.738 -0.008 0.000 0.918 70 Q HN 0.153 nan 8.270 nan 0.000 0.444 71 L N 0.206 121.385 121.223 -0.073 0.000 2.156 71 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 71 L C 2.186 179.029 176.870 -0.045 0.000 1.095 71 L CA 1.415 56.212 54.840 -0.071 0.000 0.770 71 L CB -1.144 40.857 42.059 -0.097 0.000 0.914 71 L HN 0.135 nan 8.230 nan 0.000 0.439 72 A N -1.020 121.778 122.820 -0.036 0.000 1.933 72 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 72 A C 2.128 179.698 177.584 -0.023 0.000 1.175 72 A CA 1.272 53.293 52.037 -0.026 0.000 0.628 72 A CB -0.308 18.681 19.000 -0.018 0.000 0.814 72 A HN 0.482 nan 8.150 nan 0.000 0.444 73 Q N -0.208 119.581 119.800 -0.018 0.000 2.084 73 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 73 Q C 2.313 178.302 176.000 -0.019 0.000 0.978 73 Q CA 1.598 57.391 55.803 -0.017 0.000 0.844 73 Q CB -0.870 27.867 28.738 -0.003 0.000 0.898 73 Q HN 0.506 nan 8.270 nan 0.000 0.426 74 V N 1.694 121.610 119.914 0.004 0.000 2.261 74 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 74 V C 2.502 178.627 176.094 0.052 0.000 1.047 74 V CA 1.901 64.231 62.300 0.051 0.000 1.015 74 V CB -1.221 30.617 31.823 0.026 0.000 0.642 74 V HN 0.358 nan 8.190 nan 0.000 0.446 75 A N -0.206 122.621 122.820 0.010 0.000 1.940 75 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 75 A C 2.121 179.702 177.584 -0.005 0.000 1.176 75 A CA 1.953 53.995 52.037 0.008 0.000 0.631 75 A CB -0.460 18.523 19.000 -0.027 0.000 0.814 75 A HN 0.594 nan 8.150 nan 0.000 0.446 76 K N -1.189 119.183 120.400 -0.048 0.000 2.505 76 K HA 0.248 4.568 4.320 -0.000 0.000 0.192 76 K C 0.954 177.449 176.600 -0.175 0.000 1.025 76 K CA 0.426 56.669 56.287 -0.074 0.000 1.086 76 K CB -0.168 32.300 32.500 -0.053 0.000 0.840 76 K HN 0.669 nan 8.250 nan 0.000 0.514 77 G N 1.788 110.357 108.800 -0.385 0.000 2.143 77 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.248 77 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.248 77 G C 0.271 174.877 174.900 -0.490 0.000 0.991 77 G CA 0.322 44.887 45.100 -0.893 0.000 0.689 77 G HN 0.490 nan 8.290 nan 0.000 0.522 78 E N -0.439 119.619 120.200 -0.237 0.000 2.538 78 E HA 0.588 4.938 4.350 -0.000 0.000 0.207 78 E C 0.868 177.470 176.600 0.003 0.000 1.002 78 E CA 0.548 56.897 56.400 -0.084 0.000 0.952 78 E CB 0.779 30.447 29.700 -0.053 0.000 1.031 78 E HN 0.919 nan 8.360 nan 0.000 0.476 79 A N 0.516 123.371 122.820 0.058 0.000 2.588 79 A HA 0.683 5.003 4.320 -0.000 0.000 0.290 79 A C -2.019 175.772 177.584 0.346 0.000 1.136 79 A CA -0.627 51.507 52.037 0.162 0.000 0.681 79 A CB 1.138 20.195 19.000 0.096 0.000 1.282 79 A HN 0.109 nan 8.150 nan 0.000 0.421 80 F N -0.000 120.025 119.950 0.125 0.000 2.540 80 F HA 0.668 5.195 4.527 -0.000 0.000 0.317 80 F C -1.045 174.791 175.800 0.059 0.000 1.104 80 F CA -0.993 57.077 58.000 0.117 0.000 0.913 80 F CB 1.952 41.016 39.000 0.106 0.000 1.170 80 F HN 0.529 nan 8.300 nan 0.000 0.450 81 L N 6.987 127.844 121.223 -0.609 0.000 2.264 81 L HA 0.584 4.923 4.340 -0.000 0.000 0.289 81 L C -1.655 174.939 176.870 -0.459 0.000 1.044 81 L CA -0.555 54.040 54.840 -0.408 0.000 0.807 81 L CB 1.063 42.923 42.059 -0.333 0.000 1.192 81 L HN 0.612 nan 8.230 nan 0.000 0.425 82 L N 5.260 126.383 121.223 -0.166 0.000 2.305 82 L HA 0.580 4.920 4.340 -0.000 0.000 0.284 82 L C -0.823 175.975 176.870 -0.120 0.000 1.013 82 L CA 0.108 54.895 54.840 -0.089 0.000 0.819 82 L CB 1.406 43.491 42.059 0.044 0.000 1.227 82 L HN 0.823 nan 8.230 nan 0.000 0.417 83 Q N 3.455 123.139 119.800 -0.194 0.000 2.323 83 Q HA 0.802 5.142 4.340 -0.000 0.000 0.271 83 Q C -1.046 174.815 176.000 -0.232 0.000 1.048 83 Q CA -0.529 55.106 55.803 -0.281 0.000 0.792 83 Q CB 2.032 30.427 28.738 -0.572 0.000 1.280 83 Q HN 0.971 nan 8.270 nan 0.000 0.441 84 G N 0.834 109.561 108.800 -0.122 0.000 2.547 84 G HA2 0.709 4.669 3.960 -0.000 0.000 0.291 84 G HA3 0.709 4.669 3.960 -0.000 0.000 0.291 84 G C -0.857 174.049 174.900 0.010 0.000 1.471 84 G CA 0.018 45.101 45.100 -0.029 0.000 0.798 84 G HN 1.026 nan 8.290 nan 0.000 0.504 85 G N -0.474 108.345 108.800 0.032 0.000 2.339 85 G HA2 0.388 4.348 3.960 -0.000 0.000 0.275 85 G HA3 0.388 4.348 3.960 -0.000 0.000 0.275 85 G C -1.639 173.293 174.900 0.053 0.000 1.323 85 G CA -0.506 44.609 45.100 0.024 0.000 0.927 85 G HN 0.726 nan 8.290 nan 0.000 0.486 86 D N -0.110 120.323 120.400 0.056 0.000 2.488 86 D HA 0.199 4.839 4.640 -0.000 0.000 0.238 86 D C 1.668 178.025 176.300 0.096 0.000 1.138 86 D CA 0.435 54.481 54.000 0.077 0.000 0.873 86 D CB 1.434 42.296 40.800 0.102 0.000 1.183 86 D HN 0.694 nan 8.370 nan 0.000 0.458 87 C N 2.785 122.137 119.300 0.086 0.000 2.398 87 C HA 0.036 4.496 4.460 -0.000 0.000 0.276 87 C C 0.876 175.931 174.990 0.108 0.000 1.222 87 C CA 1.230 60.320 59.018 0.121 0.000 1.746 87 C CB -0.721 27.079 27.740 0.100 0.000 2.039 87 C HN 0.650 nan 8.230 nan 0.000 0.470 88 A N 0.182 123.036 122.820 0.056 0.000 2.408 88 A HA 0.633 4.953 4.320 -0.000 0.000 0.295 88 A C -0.814 176.763 177.584 -0.013 0.000 1.040 88 A CA -0.464 51.581 52.037 0.013 0.000 0.707 88 A CB 0.702 19.718 19.000 0.027 0.000 1.235 88 A HN 0.642 nan 8.150 nan 0.000 0.418 89 E N 1.044 121.184 120.200 -0.100 0.000 2.366 89 E HA 0.476 4.826 4.350 -0.000 0.000 0.266 89 E C 0.251 176.905 176.600 0.089 0.000 1.051 89 E CA -0.091 56.266 56.400 -0.072 0.000 0.884 89 E CB 1.134 30.610 29.700 -0.372 0.000 1.006 89 E HN 0.718 nan 8.360 nan 0.000 0.417 90 T N -1.022 113.607 114.554 0.126 0.000 2.908 90 T HA 0.478 4.828 4.350 -0.000 0.000 0.290 90 T C -0.083 174.739 174.700 0.205 0.000 1.034 90 T CA -0.881 61.258 62.100 0.064 0.000 1.010 90 T CB 0.530 69.359 68.868 -0.065 0.000 1.068 90 T HN 0.117 nan 8.240 nan 0.000 0.481 94 N N 2.009 120.787 118.700 0.129 0.000 3.050 94 N HA 0.147 4.887 4.740 -0.000 0.000 0.289 94 N C -0.682 174.906 175.510 0.131 0.000 1.209 94 N CA 0.390 53.556 53.050 0.194 0.000 1.154 94 N CB -0.006 38.638 38.487 0.262 0.000 1.444 94 N HN 0.094 nan 8.380 nan 0.000 0.529 95 T N -2.204 112.428 114.554 0.130 0.000 2.916 95 T HA 0.282 4.632 4.350 -0.000 0.000 0.292 95 T C 0.936 175.684 174.700 0.081 0.000 1.064 95 T CA -0.761 61.391 62.100 0.087 0.000 1.011 95 T CB 1.713 70.621 68.868 0.068 0.000 1.152 95 T HN 0.093 nan 8.240 nan 0.000 0.510 96 E N 0.744 120.974 120.200 0.049 0.000 2.049 96 E HA -0.106 4.243 4.350 -0.000 0.000 0.198 96 E C -0.870 175.744 176.600 0.024 0.000 1.007 96 E CA 2.028 58.446 56.400 0.031 0.000 0.809 96 E CB -1.496 28.217 29.700 0.021 0.000 0.749 96 E HN 0.513 nan 8.360 nan 0.000 0.450 97 P HA -0.122 nan 4.420 nan 0.000 0.216 97 P C 1.245 178.562 177.300 0.029 0.000 1.150 97 P CA 1.765 64.876 63.100 0.019 0.000 0.837 97 P CB -0.261 31.454 31.700 0.026 0.000 0.786 98 H N -0.699 118.355 119.070 -0.026 0.000 2.363 98 H HA 0.036 4.592 4.556 -0.000 0.000 0.301 98 H C 1.839 177.149 175.328 -0.031 0.000 1.074 98 H CA 1.239 57.268 56.048 -0.031 0.000 1.354 98 H CB -0.861 28.890 29.762 -0.019 0.000 1.397 98 H HN -0.029 nan 8.280 nan 0.000 0.516 99 I N 0.035 120.557 120.570 -0.081 0.000 2.226 99 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 99 I C 2.753 178.794 176.117 -0.128 0.000 1.100 99 I CA 1.413 62.643 61.300 -0.116 0.000 1.374 99 I CB -0.310 37.682 38.000 -0.013 0.000 1.057 99 I HN 0.250 nan 8.210 nan 0.000 0.413 100 R N 1.216 121.661 120.500 -0.092 0.000 2.091 100 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 100 R C 2.317 178.517 176.300 -0.166 0.000 1.136 100 R CA 1.826 57.866 56.100 -0.101 0.000 0.959 100 R CB -0.644 29.613 30.300 -0.071 0.000 0.856 100 R HN 0.397 nan 8.270 nan 0.000 0.437 101 G N 0.528 109.217 108.800 -0.186 0.000 2.418 101 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 101 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 101 G C 1.105 175.867 174.900 -0.230 0.000 1.158 101 G CA 0.854 45.822 45.100 -0.220 0.000 0.771 101 G HN 0.351 nan 8.290 nan 0.000 0.545 102 N N 0.259 118.802 118.700 -0.261 0.000 2.216 102 N HA -0.062 4.678 4.740 -0.000 0.000 0.183 102 N C 2.306 177.732 175.510 -0.139 0.000 1.017 102 N CA 0.824 53.747 53.050 -0.211 0.000 0.861 102 N CB -0.462 37.872 38.487 -0.256 0.000 0.986 102 N HN 0.195 nan 8.380 nan 0.000 0.428 103 V N 1.683 121.521 119.914 -0.126 0.000 2.295 103 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 103 V C 2.919 178.967 176.094 -0.076 0.000 1.049 103 V CA 2.434 64.688 62.300 -0.077 0.000 1.024 103 V CB -0.870 30.918 31.823 -0.057 0.000 0.648 103 V HN 0.421 nan 8.190 nan 0.000 0.447 104 R N 0.159 120.568 120.500 -0.151 0.000 2.080 104 R HA -0.142 4.198 4.340 -0.000 0.000 0.236 104 R C 2.357 178.575 176.300 -0.136 0.000 1.137 104 R CA 2.368 58.333 56.100 -0.226 0.000 0.943 104 R CB -1.631 28.323 30.300 -0.576 0.000 0.846 104 R HN 0.639 nan 8.270 nan 0.000 0.431 105 A N 0.456 123.184 122.820 -0.154 0.000 1.908 105 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 105 A C 2.455 180.010 177.584 -0.049 0.000 1.181 105 A CA 1.687 53.660 52.037 -0.105 0.000 0.627 105 A CB -0.493 18.438 19.000 -0.114 0.000 0.818 105 A HN 0.473 nan 8.150 nan 0.000 0.445 106 L N -0.529 120.670 121.223 -0.040 0.000 2.083 106 L HA -0.087 4.253 4.340 -0.000 0.000 0.209 106 L C 2.395 179.276 176.870 0.019 0.000 1.083 106 L CA 1.451 56.284 54.840 -0.011 0.000 0.752 106 L CB -0.332 41.719 42.059 -0.013 0.000 0.899 106 L HN 0.419 nan 8.230 nan 0.000 0.433 107 L N -1.392 119.856 121.223 0.041 0.000 2.056 107 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 107 L C 1.556 178.491 176.870 0.108 0.000 1.078 107 L CA 0.511 55.402 54.840 0.085 0.000 0.749 107 L CB -0.481 41.663 42.059 0.143 0.000 0.901 107 L HN 0.314 nan 8.230 nan 0.000 0.433 111 V N 0.909 120.826 119.914 0.006 0.000 2.427 111 V HA -0.136 3.984 4.120 -0.000 0.000 0.248 111 V C 2.218 178.274 176.094 -0.064 0.000 1.051 111 V CA 2.836 65.124 62.300 -0.021 0.000 1.048 111 V CB -0.203 31.605 31.823 -0.025 0.000 0.666 111 V HN 0.401 nan 8.190 nan 0.000 0.456 112 V N 0.210 120.050 119.914 -0.122 0.000 2.295 112 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 112 V C 2.417 178.424 176.094 -0.145 0.000 1.049 112 V CA 2.467 64.617 62.300 -0.249 0.000 1.024 112 V CB -0.593 30.895 31.823 -0.559 0.000 0.648 112 V HN 0.516 nan 8.190 nan 0.000 0.447 113 L N -0.407 120.755 121.223 -0.101 0.000 2.141 113 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 113 L C 2.588 179.426 176.870 -0.053 0.000 1.094 113 L CA 1.603 56.391 54.840 -0.085 0.000 0.763 113 L CB -0.944 41.109 42.059 -0.009 0.000 0.908 113 L HN 0.363 nan 8.230 nan 0.000 0.437 114 T N -1.251 113.305 114.554 0.003 0.000 2.708 114 T HA -0.259 4.091 4.350 -0.000 0.000 0.266 114 T C 1.713 176.415 174.700 0.004 0.000 1.037 114 T CA 1.459 63.571 62.100 0.020 0.000 1.146 114 T CB -0.406 68.483 68.868 0.035 0.000 0.865 114 T HN 0.287 nan 8.240 nan 0.000 0.435 115 Y N 1.802 122.047 120.300 -0.092 0.000 2.128 115 Y HA -0.084 4.466 4.550 -0.000 0.000 0.284 115 Y C 2.596 178.446 175.900 -0.082 0.000 1.154 115 Y CA 1.481 59.528 58.100 -0.089 0.000 1.149 115 Y CB -0.741 37.646 38.460 -0.122 0.000 0.976 115 Y HN 0.208 nan 8.280 nan 0.000 0.505 116 G N -0.666 108.138 108.800 0.007 0.000 2.418 116 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.217 116 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.217 116 G C 1.721 176.539 174.900 -0.137 0.000 1.158 116 G CA 0.819 45.880 45.100 -0.065 0.000 0.771 116 G HN 0.567 nan 8.290 nan 0.000 0.545 117 A N -0.633 122.099 122.820 -0.146 0.000 2.016 117 A HA 0.425 4.745 4.320 -0.000 0.000 0.217 117 A C 1.475 179.010 177.584 -0.082 0.000 1.162 117 A CA 1.317 53.279 52.037 -0.125 0.000 0.662 117 A CB -0.220 18.692 19.000 -0.146 0.000 0.812 117 A HN 0.757 nan 8.150 nan 0.000 0.450 121 V N 1.406 121.395 119.914 0.126 0.000 2.398 121 V HA 0.407 4.527 4.120 -0.000 0.000 0.286 121 V C 0.115 176.278 176.094 0.115 0.000 1.026 121 V CA -0.660 61.738 62.300 0.164 0.000 0.868 121 V CB 1.851 33.783 31.823 0.181 0.000 0.982 121 V HN 0.400 nan 8.190 nan 0.000 0.443 122 V N 5.880 125.850 119.914 0.094 0.000 2.461 122 V HA 0.303 4.423 4.120 -0.000 0.000 0.275 122 V C 0.260 176.403 176.094 0.083 0.000 1.047 122 V CA -0.613 61.742 62.300 0.092 0.000 0.955 122 V CB 1.097 32.941 31.823 0.034 0.000 0.988 122 V HN 0.792 nan 8.190 nan 0.000 0.471 123 K N 4.129 124.608 120.400 0.132 0.000 2.316 123 K HA 0.599 4.919 4.320 -0.000 0.000 0.267 123 K C -1.223 175.460 176.600 0.140 0.000 1.025 123 K CA -0.451 55.889 56.287 0.089 0.000 0.896 123 K CB 1.804 34.334 32.500 0.049 0.000 1.124 123 K HN 0.458 nan 8.250 nan 0.000 0.451 124 V N 2.785 122.743 119.914 0.074 0.000 2.350 124 V HA 0.339 4.459 4.120 -0.000 0.000 0.285 124 V C -0.028 176.095 176.094 0.048 0.000 1.014 124 V CA -1.022 61.337 62.300 0.098 0.000 0.831 124 V CB 1.291 33.133 31.823 0.031 0.000 1.000 124 V HN 0.858 nan 8.190 nan 0.000 0.433 125 A N 5.314 128.187 122.820 0.089 0.000 2.401 125 A HA 0.521 4.841 4.320 -0.000 0.000 0.259 125 A C 0.498 178.154 177.584 0.120 0.000 1.103 125 A CA -0.391 51.688 52.037 0.071 0.000 0.789 125 A CB 0.130 19.168 19.000 0.064 0.000 1.035 125 A HN 0.840 nan 8.150 nan 0.000 0.491 126 R N 1.509 122.082 120.500 0.121 0.000 2.441 126 R HA 0.488 4.828 4.340 -0.000 0.000 0.300 126 R C -0.662 175.709 176.300 0.118 0.000 1.284 126 R CA 0.423 56.650 56.100 0.213 0.000 1.069 126 R CB -0.306 30.156 30.300 0.271 0.000 1.087 126 R HN 0.710 nan 8.270 nan 0.000 0.519 127 I N -0.610 120.022 120.570 0.104 0.000 3.099 127 I HA 0.290 4.460 4.170 -0.000 0.000 0.308 127 I C -0.795 175.341 176.117 0.031 0.000 1.405 127 I CA -0.489 60.827 61.300 0.026 0.000 0.953 127 I CB 1.829 39.852 38.000 0.038 0.000 1.324 127 I HN 0.596 nan 8.210 nan 0.000 0.495 128 A N 3.265 126.075 122.820 -0.016 0.000 2.739 128 A HA 0.080 4.400 4.320 -0.000 0.000 0.296 128 A C 0.844 178.444 177.584 0.028 0.000 1.488 128 A CA 1.504 53.569 52.037 0.047 0.000 0.746 128 A CB -2.242 16.816 19.000 0.096 0.000 1.047 128 A HN 2.226 nan 8.150 nan 0.000 0.477 129 G N -2.203 106.453 108.800 -0.240 0.000 3.732 129 G HA2 0.188 4.148 3.960 -0.000 0.000 0.220 129 G HA3 0.188 4.148 3.960 -0.000 0.000 0.220 129 G C 0.096 174.593 174.900 -0.671 0.000 0.903 129 G CA 0.655 45.506 45.100 -0.415 0.000 0.896 129 G HN 1.255 nan 8.290 nan 0.000 0.685 130 Q N 0.982 120.447 119.800 -0.559 0.000 3.223 130 Q HA 0.461 4.801 4.340 -0.000 0.000 0.299 130 Q C 0.019 175.785 176.000 -0.390 0.000 1.385 130 Q CA -0.187 55.422 55.803 -0.324 0.000 0.942 130 Q CB -1.007 27.670 28.738 -0.102 0.000 1.748 130 Q HN 0.659 nan 8.270 nan 0.000 0.523 131 Y N -0.777 119.402 120.300 -0.202 0.000 2.612 131 Y HA 0.565 5.115 4.550 -0.000 0.000 0.250 131 Y C 0.249 175.989 175.900 -0.267 0.000 1.175 131 Y CA -0.408 57.544 58.100 -0.246 0.000 1.205 131 Y CB 1.132 39.437 38.460 -0.259 0.000 1.201 131 Y HN 0.361 nan 8.280 nan 0.000 0.532 132 A N 1.586 124.340 122.820 -0.109 0.000 2.427 132 A HA 0.692 5.012 4.320 -0.000 0.000 0.298 132 A C -1.121 176.373 177.584 -0.150 0.000 1.036 132 A CA -0.832 51.111 52.037 -0.157 0.000 0.701 132 A CB 1.239 20.158 19.000 -0.135 0.000 1.250 132 A HN 0.225 nan 8.150 nan 0.000 0.412 133 K N 2.310 122.599 120.400 -0.185 0.000 2.375 133 K HA 0.792 5.112 4.320 -0.000 0.000 0.249 133 K C -3.122 173.396 176.600 -0.137 0.000 0.942 133 K CA -1.914 54.291 56.287 -0.137 0.000 0.806 133 K CB 2.757 35.186 32.500 -0.118 0.000 1.227 133 K HN 0.383 nan 8.250 nan 0.000 0.430 134 P HA 0.242 nan 4.420 nan 0.000 0.276 134 P C -1.004 176.256 177.300 -0.066 0.000 1.244 134 P CA -0.598 62.447 63.100 -0.092 0.000 0.801 134 P CB 0.753 32.400 31.700 -0.090 0.000 1.006 135 R N 0.467 120.936 120.500 -0.052 0.000 2.744 135 R HA 0.285 4.625 4.340 -0.000 0.000 0.279 135 R C 1.184 177.475 176.300 -0.015 0.000 0.977 135 R CA -0.599 55.487 56.100 -0.025 0.000 0.906 135 R CB 1.545 31.834 30.300 -0.018 0.000 1.197 135 R HN 0.552 nan 8.270 nan 0.000 0.463 136 S N -0.298 115.401 115.700 -0.002 0.000 2.470 136 S HA 0.192 4.662 4.470 -0.000 0.000 0.225 136 S C 0.797 175.398 174.600 0.002 0.000 1.006 136 S CA 0.310 58.511 58.200 0.001 0.000 0.934 136 S CB 0.345 63.550 63.200 0.009 0.000 0.778 136 S HN 0.658 nan 8.310 nan 0.000 0.517 137 A N 0.696 123.519 122.820 0.005 0.000 2.498 137 A HA 0.659 4.979 4.320 -0.000 0.000 0.298 137 A C -0.252 177.336 177.584 0.007 0.000 1.075 137 A CA -0.492 51.548 52.037 0.004 0.000 0.714 137 A CB 1.237 20.241 19.000 0.006 0.000 1.299 137 A HN 0.037 nan 8.150 nan 0.000 0.407 138 D N 0.327 120.729 120.400 0.004 0.000 2.340 138 D HA 0.172 4.812 4.640 -0.000 0.000 0.220 138 D C -0.066 176.240 176.300 0.010 0.000 1.039 138 D CA 0.779 54.784 54.000 0.008 0.000 0.866 138 D CB -0.117 40.681 40.800 -0.003 0.000 0.913 138 D HN 0.477 nan 8.370 nan 0.000 0.523 139 I N 1.314 121.887 120.570 0.006 0.000 2.418 139 I HA 0.223 4.393 4.170 -0.000 0.000 0.287 139 I C -0.201 175.919 176.117 0.004 0.000 1.008 139 I CA -1.162 60.141 61.300 0.004 0.000 1.104 139 I CB 1.821 39.819 38.000 -0.003 0.000 1.264 139 I HN -0.133 nan 8.210 nan 0.000 0.438 140 D N 5.305 125.707 120.400 0.003 0.000 2.478 140 D HA 0.305 4.945 4.640 -0.000 0.000 0.269 140 D C 1.109 177.400 176.300 -0.015 0.000 1.232 140 D CA -0.560 53.438 54.000 -0.002 0.000 1.059 140 D CB 0.904 41.705 40.800 0.000 0.000 1.104 140 D HN 0.488 nan 8.370 nan 0.000 0.566 141 A N -0.729 122.077 122.820 -0.022 0.000 2.125 141 A HA -0.011 4.308 4.320 -0.000 0.000 0.219 141 A C 2.019 179.579 177.584 -0.039 0.000 1.156 141 A CA 0.750 52.769 52.037 -0.031 0.000 0.671 141 A CB -0.784 18.192 19.000 -0.040 0.000 0.794 141 A HN 0.538 nan 8.150 nan 0.000 0.459 142 L N -1.303 119.893 121.223 -0.045 0.000 2.628 142 L HA 0.222 4.562 4.340 -0.000 0.000 0.229 142 L C 1.514 178.362 176.870 -0.037 0.000 1.137 142 L CA 0.429 55.239 54.840 -0.049 0.000 0.909 142 L CB -0.227 41.792 42.059 -0.067 0.000 1.137 142 L HN 0.537 nan 8.230 nan 0.000 0.470 143 G N 0.936 109.719 108.800 -0.028 0.000 2.160 143 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.251 143 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.251 143 G C 0.018 174.907 174.900 -0.018 0.000 1.008 143 G CA 0.119 45.207 45.100 -0.020 0.000 0.724 143 G HN 0.269 nan 8.290 nan 0.000 0.514 144 L N -0.685 120.527 121.223 -0.019 0.000 2.334 144 L HA 0.586 4.926 4.340 -0.000 0.000 0.270 144 L C 1.315 178.188 176.870 0.005 0.000 1.018 144 L CA -1.345 53.487 54.840 -0.012 0.000 0.811 144 L CB 0.977 43.022 42.059 -0.024 0.000 1.271 144 L HN 0.037 nan 8.230 nan 0.000 0.443 145 R N 0.861 121.371 120.500 0.017 0.000 2.504 145 R HA 0.047 4.387 4.340 -0.000 0.000 0.291 145 R C -0.140 176.201 176.300 0.068 0.000 0.974 145 R CA -0.133 55.991 56.100 0.040 0.000 1.077 145 R CB 0.191 30.523 30.300 0.052 0.000 0.926 145 R HN 0.558 nan 8.270 nan 0.000 0.407 146 S N 2.711 118.452 115.700 0.069 0.000 2.558 146 S HA -0.132 4.338 4.470 -0.000 0.000 0.291 146 S C -0.197 174.480 174.600 0.127 0.000 1.306 146 S CA -0.112 58.136 58.200 0.079 0.000 1.056 146 S CB 0.141 63.372 63.200 0.052 0.000 0.836 146 S HN 0.431 nan 8.310 nan 0.000 0.504 147 Y N 3.132 123.427 120.300 -0.008 0.000 2.465 147 Y HA 0.147 4.697 4.550 -0.000 0.000 0.331 147 Y C 1.191 177.088 175.900 -0.006 0.000 1.102 147 Y CA 0.019 58.118 58.100 -0.002 0.000 1.358 147 Y CB 0.266 38.735 38.460 0.014 0.000 1.213 147 Y HN 0.627 nan 8.280 nan 0.000 0.525 148 R N 4.154 124.373 120.500 -0.468 0.000 2.565 148 R HA 0.309 4.649 4.340 -0.000 0.000 0.347 148 R C -0.173 175.751 176.300 -0.626 0.000 1.010 148 R CA 0.228 56.047 56.100 -0.468 0.000 1.126 148 R CB 0.766 30.860 30.300 -0.343 0.000 1.331 148 R HN 0.979 nan 8.270 nan 0.000 0.552 149 G N 1.313 109.411 108.800 -1.170 0.000 2.587 149 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.686 149 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.686 149 G C -1.067 173.613 174.900 -0.366 0.000 1.236 149 G CA -1.015 43.627 45.100 -0.763 0.000 0.820 149 G HN 0.043 nan 8.290 nan 0.000 0.645 153 N N 1.364 120.056 118.700 -0.014 0.000 3.204 153 N HA 0.484 5.224 4.740 -0.000 0.000 0.285 153 N C -0.490 175.176 175.510 0.260 0.000 1.536 153 N CA -0.076 53.050 53.050 0.127 0.000 0.832 153 N CB 0.636 39.193 38.487 0.118 0.000 1.645 153 N HN 0.067 nan 8.380 nan 0.000 0.586 154 G N -1.131 107.816 108.800 0.245 0.000 2.400 154 G HA2 0.358 4.318 3.960 -0.000 0.000 0.301 154 G HA3 0.358 4.318 3.960 -0.000 0.000 0.301 154 G C -0.255 174.671 174.900 0.043 0.000 1.154 154 G CA -0.686 44.532 45.100 0.195 0.000 0.852 154 G HN 0.487 nan 8.290 nan 0.000 0.511 155 F N 2.709 122.383 119.950 -0.461 0.000 2.234 155 F HA 0.192 4.719 4.527 -0.000 0.000 0.299 155 F C 1.991 177.553 175.800 -0.396 0.000 1.087 155 F CA 0.639 58.065 58.000 -0.957 0.000 1.340 155 F CB 0.001 38.484 39.000 -0.862 0.000 1.031 155 F HN 0.499 nan 8.300 nan 0.000 0.500 156 A N 1.552 124.272 122.820 -0.166 0.000 2.540 156 A HA 0.178 4.498 4.320 -0.000 0.000 0.239 156 A C -2.245 175.207 177.584 -0.220 0.000 1.061 156 A CA -0.835 51.113 52.037 -0.147 0.000 0.758 156 A CB -0.823 18.163 19.000 -0.023 0.000 0.991 156 A HN 0.190 nan 8.150 nan 0.000 0.502 157 P HA 0.295 nan 4.420 nan 0.000 0.231 157 P C -1.369 175.873 177.300 -0.096 0.000 1.811 157 P CA 0.144 63.132 63.100 -0.186 0.000 1.051 157 P CB -0.355 31.230 31.700 -0.191 0.000 1.951 158 D N -0.741 119.620 120.400 -0.066 0.000 2.655 158 D HA 0.481 5.121 4.640 -0.000 0.000 0.229 158 D C 0.743 177.039 176.300 -0.006 0.000 1.229 158 D CA -1.064 52.919 54.000 -0.028 0.000 0.807 158 D CB 0.704 41.496 40.800 -0.014 0.000 1.514 158 D HN -0.107 nan 8.370 nan 0.000 0.444 159 A N 1.332 124.154 122.820 0.004 0.000 1.902 159 A HA 0.126 4.446 4.320 -0.000 0.000 0.217 159 A C 2.213 179.819 177.584 0.036 0.000 1.181 159 A CA 2.062 54.110 52.037 0.017 0.000 0.623 159 A CB -1.249 17.758 19.000 0.012 0.000 0.818 159 A HN 0.786 nan 8.150 nan 0.000 0.443 160 A N -0.065 122.777 122.820 0.036 0.000 1.902 160 A HA 0.145 4.465 4.320 -0.000 0.000 0.217 160 A C 2.488 180.113 177.584 0.069 0.000 1.181 160 A CA 2.082 54.149 52.037 0.050 0.000 0.623 160 A CB -1.029 17.997 19.000 0.044 0.000 0.818 160 A HN 1.112 nan 8.150 nan 0.000 0.443 161 A N -0.926 121.931 122.820 0.061 0.000 2.019 161 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 161 A C 2.081 179.731 177.584 0.109 0.000 1.164 161 A CA 1.323 53.406 52.037 0.077 0.000 0.644 161 A CB -0.320 18.707 19.000 0.046 0.000 0.805 161 A HN 0.367 nan 8.150 nan 0.000 0.449 162 R N 0.200 120.761 120.500 0.103 0.000 2.300 162 R HA 0.119 4.459 4.340 -0.000 0.000 0.199 162 R C -0.232 176.199 176.300 0.219 0.000 0.920 162 R CA 0.041 56.228 56.100 0.145 0.000 1.046 162 R CB -0.165 30.194 30.300 0.099 0.000 0.984 162 R HN 0.453 nan 8.270 nan 0.000 0.493 163 E N 1.262 121.571 120.200 0.182 0.000 2.398 163 E HA 0.001 4.350 4.350 -0.000 0.000 0.263 163 E C -0.210 176.605 176.600 0.358 0.000 1.046 163 E CA 0.256 56.785 56.400 0.215 0.000 0.908 163 E CB 0.383 30.164 29.700 0.135 0.000 0.963 163 E HN 0.262 nan 8.360 nan 0.000 0.431 164 H N 2.013 121.168 119.070 0.142 0.000 2.864 164 H HA 0.095 4.651 4.556 -0.000 0.000 0.281 164 H C -0.284 175.304 175.328 0.433 0.000 1.093 164 H CA -0.190 56.003 56.048 0.242 0.000 1.453 164 H CB 0.744 30.553 29.762 0.079 0.000 1.462 164 H HN 0.204 nan 8.280 nan 0.000 0.480 165 D N 5.659 126.372 120.400 0.521 0.000 2.471 165 D HA 0.098 4.738 4.640 -0.000 0.000 0.245 165 D C -1.930 174.415 176.300 0.076 0.000 1.116 165 D CA -2.011 52.166 54.000 0.295 0.000 0.853 165 D CB 2.267 43.167 40.800 0.166 0.000 1.123 165 D HN 0.306 nan 8.370 nan 0.000 0.540 166 P HA -0.057 nan 4.420 nan 0.000 0.242 166 P C 1.189 178.229 177.300 -0.432 0.000 1.197 166 P CA 0.289 62.761 63.100 -1.047 0.000 0.765 166 P CB 0.116 30.876 31.700 -1.568 0.000 0.936 167 S N 0.347 115.925 115.700 -0.203 0.000 2.442 167 S HA -0.120 4.350 4.470 -0.000 0.000 0.236 167 S C 1.960 176.528 174.600 -0.054 0.000 1.007 167 S CA 0.526 58.664 58.200 -0.103 0.000 0.965 167 S CB -0.910 62.260 63.200 -0.050 0.000 0.773 167 S HN 0.132 nan 8.310 nan 0.000 0.504 168 R N 0.554 121.051 120.500 -0.006 0.000 2.237 168 R HA 0.206 4.546 4.340 -0.000 0.000 0.219 168 R C 2.022 178.368 176.300 0.076 0.000 1.080 168 R CA 0.898 57.057 56.100 0.098 0.000 0.995 168 R CB -0.535 29.893 30.300 0.214 0.000 0.875 168 R HN 0.453 nan 8.270 nan 0.000 0.462 169 L N -0.182 121.044 121.223 0.004 0.000 2.046 169 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 169 L C 2.211 179.168 176.870 0.146 0.000 1.077 169 L CA 1.088 55.981 54.840 0.089 0.000 0.747 169 L CB -0.382 41.707 42.059 0.050 0.000 0.896 169 L HN 0.028 nan 8.230 nan 0.000 0.432 170 V N -0.353 119.595 119.914 0.056 0.000 2.379 170 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 170 V C 2.616 178.727 176.094 0.029 0.000 1.044 170 V CA 1.572 63.920 62.300 0.080 0.000 1.036 170 V CB -0.567 31.262 31.823 0.010 0.000 0.664 170 V HN 0.412 nan 8.190 nan 0.000 0.453 171 R N 0.338 120.770 120.500 -0.113 0.000 2.081 171 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 171 R C 2.275 178.223 176.300 -0.587 0.000 1.131 171 R CA 1.679 57.551 56.100 -0.379 0.000 0.960 171 R CB -0.438 29.578 30.300 -0.473 0.000 0.856 171 R HN 0.489 nan 8.270 nan 0.000 0.436 172 A N 0.093 122.746 122.820 -0.278 0.000 1.877 172 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 172 A C 1.999 179.568 177.584 -0.025 0.000 1.186 172 A CA 1.440 53.363 52.037 -0.190 0.000 0.620 172 A CB -0.959 17.971 19.000 -0.116 0.000 0.822 172 A HN 0.626 nan 8.150 nan 0.000 0.443 173 Y N 0.856 121.207 120.300 0.084 0.000 2.097 173 Y HA -0.183 4.367 4.550 -0.000 0.000 0.282 173 Y C 2.633 178.570 175.900 0.062 0.000 1.152 173 Y CA 1.571 59.788 58.100 0.196 0.000 1.136 173 Y CB -0.817 37.753 38.460 0.183 0.000 0.975 173 Y HN 0.299 nan 8.280 nan 0.000 0.498 174 A N 0.763 123.388 122.820 -0.325 0.000 1.908 174 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 174 A C 2.195 179.590 177.584 -0.316 0.000 1.181 174 A CA 1.993 53.801 52.037 -0.382 0.000 0.627 174 A CB -0.935 17.951 19.000 -0.190 0.000 0.818 174 A HN 0.697 nan 8.150 nan 0.000 0.445 175 N N 0.043 118.579 118.700 -0.273 0.000 2.188 175 N HA -0.106 4.634 4.740 -0.000 0.000 0.184 175 N C 2.006 177.544 175.510 0.046 0.000 1.018 175 N CA 1.315 54.293 53.050 -0.120 0.000 0.858 175 N CB -0.299 38.090 38.487 -0.163 0.000 0.989 175 N HN 0.490 nan 8.380 nan 0.000 0.426 176 A N 0.673 123.539 122.820 0.077 0.000 1.873 176 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 176 A C 2.552 180.128 177.584 -0.013 0.000 1.186 176 A CA 1.479 53.595 52.037 0.132 0.000 0.616 176 A CB -0.815 18.308 19.000 0.204 0.000 0.823 176 A HN 0.197 nan 8.150 nan 0.000 0.442 177 S N -0.546 115.031 115.700 -0.205 0.000 2.365 177 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 177 S C 2.260 176.797 174.600 -0.104 0.000 1.039 177 S CA 1.495 59.566 58.200 -0.215 0.000 1.033 177 S CB -0.427 62.492 63.200 -0.469 0.000 0.887 177 S HN 0.800 nan 8.310 nan 0.000 0.447 178 A N 1.138 123.896 122.820 -0.103 0.000 1.930 178 A HA 0.396 4.716 4.320 -0.000 0.000 0.217 178 A C 1.325 178.908 177.584 -0.002 0.000 1.175 178 A CA 1.168 53.177 52.037 -0.046 0.000 0.627 178 A CB -0.840 18.131 19.000 -0.048 0.000 0.815 178 A HN 0.579 nan 8.150 nan 0.000 0.443 182 L N 1.676 122.907 121.223 0.014 0.000 2.056 182 L HA 0.167 4.507 4.340 -0.000 0.000 0.207 182 L C 2.182 179.059 176.870 0.012 0.000 1.078 182 L CA 2.140 56.988 54.840 0.013 0.000 0.749 182 L CB -0.823 41.245 42.059 0.015 0.000 0.901 182 L HN 0.329 nan 8.230 nan 0.000 0.433 183 V N -0.453 119.470 119.914 0.015 0.000 2.407 183 V HA -0.286 3.834 4.120 -0.000 0.000 0.248 183 V C 2.634 178.731 176.094 0.004 0.000 1.055 183 V CA 1.932 64.237 62.300 0.009 0.000 1.049 183 V CB -0.474 31.357 31.823 0.013 0.000 0.662 183 V HN 0.586 nan 8.190 nan 0.000 0.455 184 R N 0.775 121.282 120.500 0.011 0.000 2.073 184 R HA -0.055 4.285 4.340 -0.000 0.000 0.234 184 R C 2.605 178.906 176.300 0.003 0.000 1.134 184 R CA 1.648 57.750 56.100 0.004 0.000 0.952 184 R CB -0.931 29.378 30.300 0.015 0.000 0.850 184 R HN 0.627 nan 8.270 nan 0.000 0.433 185 A N 1.481 124.306 122.820 0.009 0.000 1.883 185 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 185 A C 2.243 179.835 177.584 0.014 0.000 1.186 185 A CA 1.299 53.343 52.037 0.011 0.000 0.624 185 A CB -0.635 18.372 19.000 0.013 0.000 0.822 185 A HN 0.184 nan 8.150 nan 0.000 0.444 186 L N -0.154 121.077 121.223 0.013 0.000 2.083 186 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 186 L C 2.870 179.754 176.870 0.024 0.000 1.083 186 L CA 1.803 56.656 54.840 0.021 0.000 0.752 186 L CB -0.825 41.242 42.059 0.014 0.000 0.899 186 L HN 0.660 nan 8.230 nan 0.000 0.433 187 T N -4.316 110.242 114.554 0.007 0.000 3.085 187 T HA -0.040 4.310 4.350 -0.000 0.000 0.263 187 T C 1.450 176.150 174.700 -0.001 0.000 1.127 187 T CA 0.790 62.890 62.100 -0.001 0.000 1.103 187 T CB -0.201 68.648 68.868 -0.032 0.000 0.921 187 T HN 0.357 nan 8.240 nan 0.000 0.510 188 S N 1.006 116.708 115.700 0.003 0.000 2.575 188 S HA 0.378 4.848 4.470 -0.000 0.000 0.237 188 S C 0.777 175.387 174.600 0.017 0.000 0.975 188 S CA -0.446 57.758 58.200 0.006 0.000 0.960 188 S CB -0.212 62.989 63.200 0.001 0.000 0.822 188 S HN 0.666 nan 8.310 nan 0.000 0.472 189 S N 0.536 116.252 115.700 0.027 0.000 2.719 189 S HA 0.680 5.150 4.470 -0.000 0.000 0.285 189 S C 1.282 175.910 174.600 0.046 0.000 1.137 189 S CA -0.156 58.066 58.200 0.036 0.000 1.012 189 S CB 0.469 63.695 63.200 0.044 0.000 1.134 189 S HN 0.271 nan 8.310 nan 0.000 0.544 190 G N -0.509 108.322 108.800 0.051 0.000 2.776 190 G HA2 0.028 3.988 3.960 -0.000 0.000 0.209 190 G HA3 0.028 3.988 3.960 -0.000 0.000 0.209 190 G C 0.973 175.921 174.900 0.080 0.000 1.145 190 G CA 0.167 45.298 45.100 0.051 0.000 0.791 190 G HN 0.585 nan 8.290 nan 0.000 0.530 191 L N 0.777 122.073 121.223 0.122 0.000 2.201 191 L HA 0.174 4.514 4.340 -0.000 0.000 0.212 191 L C 2.856 179.849 176.870 0.205 0.000 1.105 191 L CA 1.784 56.762 54.840 0.230 0.000 0.775 191 L CB -0.130 42.045 42.059 0.194 0.000 0.913 191 L HN 0.204 nan 8.230 nan 0.000 0.440 192 A N -1.680 121.203 122.820 0.105 0.000 2.021 192 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 192 A C 1.474 179.077 177.584 0.031 0.000 1.163 192 A CA 0.656 52.736 52.037 0.072 0.000 0.676 192 A CB -0.659 18.364 19.000 0.038 0.000 0.818 192 A HN 0.433 nan 8.150 nan 0.000 0.453 193 S N 0.286 115.994 115.700 0.014 0.000 2.673 193 S HA 0.066 4.536 4.470 -0.000 0.000 0.308 193 S C 1.116 175.664 174.600 -0.087 0.000 1.246 193 S CA -0.142 58.050 58.200 -0.014 0.000 1.077 193 S CB -0.251 62.959 63.200 0.017 0.000 0.814 193 S HN 0.381 nan 8.310 nan 0.000 0.503 194 L N 4.506 125.632 121.223 -0.162 0.000 2.042 194 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 194 L C 2.467 179.157 176.870 -0.300 0.000 1.076 194 L CA 1.538 56.220 54.840 -0.264 0.000 0.749 194 L CB -0.729 41.102 42.059 -0.380 0.000 0.893 194 L HN 0.804 nan 8.230 nan 0.000 0.432 195 H N -0.658 118.370 119.070 -0.070 0.000 2.389 195 H HA -0.146 4.410 4.556 -0.000 0.000 0.299 195 H C 2.361 177.581 175.328 -0.179 0.000 1.081 195 H CA 1.193 57.195 56.048 -0.077 0.000 1.345 195 H CB -0.111 29.616 29.762 -0.059 0.000 1.393 195 H HN 0.325 nan 8.280 nan 0.000 0.520 196 L N 0.857 121.970 121.223 -0.183 0.000 2.027 196 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 196 L C 2.505 178.772 176.870 -1.004 0.000 1.074 196 L CA 0.945 55.484 54.840 -0.502 0.000 0.745 196 L CB -0.330 41.467 42.059 -0.438 0.000 0.898 196 L HN 0.045 nan 8.230 nan 0.000 0.433 197 V N -0.405 119.056 119.914 -0.756 0.000 2.282 197 V HA -0.370 3.750 4.120 -0.000 0.000 0.249 197 V C 2.416 178.428 176.094 -0.137 0.000 1.057 197 V CA 2.366 64.371 62.300 -0.491 0.000 1.032 197 V CB -0.915 30.922 31.823 0.023 0.000 0.645 197 V HN 0.584 nan 8.190 nan 0.000 0.447 198 H N -0.054 118.912 119.070 -0.174 0.000 2.495 198 H HA -0.075 4.481 4.556 -0.000 0.000 0.287 198 H C 1.949 177.261 175.328 -0.027 0.000 1.033 198 H CA 1.187 57.210 56.048 -0.042 0.000 1.307 198 H CB -0.162 29.576 29.762 -0.041 0.000 1.401 198 H HN 0.423 nan 8.280 nan 0.000 0.555 199 D N -0.275 120.000 120.400 -0.208 0.000 2.182 199 D HA -0.199 4.441 4.640 -0.000 0.000 0.201 199 D C 1.676 177.922 176.300 -0.090 0.000 0.986 199 D CA 0.765 54.644 54.000 -0.202 0.000 0.847 199 D CB -0.294 40.356 40.800 -0.249 0.000 0.942 199 D HN 0.524 nan 8.370 nan 0.000 0.467 200 W N 1.555 122.852 121.300 -0.004 0.000 2.358 200 W HA -0.052 4.608 4.660 -0.000 0.000 0.303 200 W C 1.992 178.533 176.519 0.037 0.000 1.208 200 W CA 0.277 57.633 57.345 0.018 0.000 1.274 200 W CB -1.217 28.256 29.460 0.022 0.000 1.138 200 W HN 0.036 nan 8.180 nan 0.000 0.515 201 N N 0.281 119.100 118.700 0.198 0.000 2.166 201 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 201 N C 1.798 177.395 175.510 0.146 0.000 1.019 201 N CA 1.216 54.378 53.050 0.186 0.000 0.856 201 N CB -0.623 37.910 38.487 0.077 0.000 0.993 201 N HN 0.240 nan 8.380 nan 0.000 0.426 202 R N 0.877 121.328 120.500 -0.081 0.000 2.073 202 R HA 0.022 4.362 4.340 -0.000 0.000 0.229 202 R C 1.868 178.181 176.300 0.021 0.000 1.120 202 R CA 0.785 56.856 56.100 -0.049 0.000 0.967 202 R CB -0.092 30.150 30.300 -0.097 0.000 0.862 202 R HN 0.399 nan 8.270 nan 0.000 0.436 203 E N 0.259 120.503 120.200 0.073 0.000 2.085 203 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 203 E C 1.685 178.346 176.600 0.102 0.000 0.994 203 E CA 1.440 57.894 56.400 0.090 0.000 0.801 203 E CB -0.253 29.531 29.700 0.139 0.000 0.743 203 E HN 0.236 nan 8.360 nan 0.000 0.453 204 F N 1.155 121.125 119.950 0.033 0.000 2.120 204 F HA -0.242 4.285 4.527 -0.000 0.000 0.300 204 F C 2.009 177.798 175.800 -0.018 0.000 1.095 204 F CA 1.156 59.165 58.000 0.015 0.000 1.249 204 F CB -0.399 38.625 39.000 0.040 0.000 0.995 204 F HN -0.191 nan 8.300 nan 0.000 0.480 205 V N 1.070 120.757 119.914 -0.378 0.000 2.427 205 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 205 V C 2.589 178.499 176.094 -0.306 0.000 1.051 205 V CA 2.096 64.101 62.300 -0.492 0.000 1.048 205 V CB -0.591 31.093 31.823 -0.231 0.000 0.666 205 V HN 0.310 nan 8.190 nan 0.000 0.456 206 R N 0.204 120.603 120.500 -0.168 0.000 2.075 206 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 206 R C 2.367 178.596 176.300 -0.119 0.000 1.126 206 R CA 1.968 58.000 56.100 -0.113 0.000 0.963 206 R CB -0.572 29.695 30.300 -0.056 0.000 0.858 206 R HN 0.686 nan 8.270 nan 0.000 0.435 207 T N -2.232 112.253 114.554 -0.115 0.000 3.065 207 T HA 0.037 4.387 4.350 -0.000 0.000 0.252 207 T C 0.923 175.555 174.700 -0.114 0.000 1.099 207 T CA 0.020 62.070 62.100 -0.083 0.000 1.063 207 T CB 0.212 69.064 68.868 -0.027 0.000 0.948 207 T HN 0.070 nan 8.240 nan 0.000 0.506 208 S N 2.679 118.247 115.700 -0.219 0.000 2.565 208 S HA 0.519 4.989 4.470 -0.000 0.000 0.274 208 S C -2.766 171.720 174.600 -0.189 0.000 1.309 208 S CA -1.259 56.807 58.200 -0.223 0.000 1.043 208 S CB 0.510 63.452 63.200 -0.431 0.000 0.939 208 S HN 0.173 nan 8.310 nan 0.000 0.504 209 P HA 0.370 nan 4.420 nan 0.000 0.275 209 P C 0.235 177.457 177.300 -0.129 0.000 1.228 209 P CA 0.461 63.495 63.100 -0.111 0.000 0.786 209 P CB 0.652 32.307 31.700 -0.075 0.000 0.927 210 A N 1.714 124.447 122.820 -0.146 0.000 2.861 210 A HA -0.216 4.104 4.320 -0.000 0.000 0.261 210 A C 1.885 179.284 177.584 -0.309 0.000 1.351 210 A CA 1.598 53.512 52.037 -0.205 0.000 0.904 210 A CB -2.498 16.407 19.000 -0.160 0.000 1.076 210 A HN 0.694 nan 8.150 nan 0.000 0.729 211 G N -0.644 107.990 108.800 -0.276 0.000 2.446 211 G HA2 0.056 4.016 3.960 -0.000 0.000 0.217 211 G HA3 0.056 4.016 3.960 -0.000 0.000 0.217 211 G C 1.759 176.475 174.900 -0.306 0.000 1.168 211 G CA 2.077 46.974 45.100 -0.338 0.000 0.771 211 G HN 1.940 nan 8.290 nan 0.000 0.551 212 A N 0.411 123.084 122.820 -0.246 0.000 2.139 212 A HA -0.060 4.260 4.320 -0.000 0.000 0.221 212 A C 2.257 179.684 177.584 -0.263 0.000 1.159 212 A CA 1.875 53.790 52.037 -0.203 0.000 0.662 212 A CB -0.413 18.497 19.000 -0.149 0.000 0.796 212 A HN 0.428 nan 8.150 nan 0.000 0.463 213 R N -2.010 118.221 120.500 -0.448 0.000 2.148 213 R HA -0.082 4.258 4.340 -0.000 0.000 0.223 213 R C 0.731 176.647 176.300 -0.640 0.000 1.088 213 R CA 1.390 57.125 56.100 -0.607 0.000 0.985 213 R CB -0.155 29.631 30.300 -0.857 0.000 0.880 213 R HN 0.586 nan 8.270 nan 0.000 0.451 214 Y N -0.518 119.677 120.300 -0.175 0.000 2.481 214 Y HA 0.229 4.779 4.550 -0.000 0.000 0.247 214 Y C 1.746 177.564 175.900 -0.136 0.000 1.151 214 Y CA -0.640 57.317 58.100 -0.239 0.000 1.238 214 Y CB 0.050 38.072 38.460 -0.731 0.000 1.179 214 Y HN 0.041 nan 8.280 nan 0.000 0.524 215 E N 1.602 121.780 120.200 -0.037 0.000 2.065 215 E HA -0.270 4.080 4.350 -0.000 0.000 0.201 215 E C 2.215 178.856 176.600 0.069 0.000 1.016 215 E CA 1.610 58.009 56.400 -0.002 0.000 0.818 215 E CB 0.018 29.691 29.700 -0.045 0.000 0.749 215 E HN 0.427 nan 8.360 nan 0.000 0.453 216 A N 1.462 124.322 122.820 0.067 0.000 1.877 216 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 216 A C 2.477 180.137 177.584 0.126 0.000 1.186 216 A CA 1.308 53.393 52.037 0.080 0.000 0.620 216 A CB -0.760 18.277 19.000 0.062 0.000 0.822 216 A HN 0.381 nan 8.150 nan 0.000 0.443 217 L N -0.910 120.442 121.223 0.215 0.000 2.056 217 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 217 L C 2.954 179.969 176.870 0.242 0.000 1.078 217 L CA 1.280 56.270 54.840 0.251 0.000 0.749 217 L CB -0.476 41.838 42.059 0.426 0.000 0.901 217 L HN 0.452 nan 8.230 nan 0.000 0.433 218 A N -0.918 122.154 122.820 0.420 0.000 1.902 218 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 218 A C 2.216 179.983 177.584 0.306 0.000 1.181 218 A CA 2.321 54.643 52.037 0.476 0.000 0.623 218 A CB -0.888 18.349 19.000 0.395 0.000 0.818 218 A HN 0.425 nan 8.150 nan 0.000 0.443 219 T N -0.683 113.966 114.554 0.159 0.000 2.777 219 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 219 T C 1.852 176.565 174.700 0.022 0.000 1.040 219 T CA 1.422 63.575 62.100 0.088 0.000 1.141 219 T CB -0.196 68.707 68.868 0.058 0.000 0.868 219 T HN 0.617 nan 8.240 nan 0.000 0.444 220 E N 0.338 120.525 120.200 -0.022 0.000 2.058 220 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 220 E C 2.138 178.520 176.600 -0.364 0.000 0.997 220 E CA 1.059 57.387 56.400 -0.121 0.000 0.801 220 E CB -0.194 29.458 29.700 -0.079 0.000 0.746 220 E HN 0.490 nan 8.360 nan 0.000 0.450 221 I N 0.790 121.033 120.570 -0.545 0.000 2.226 221 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 221 I C 2.296 178.170 176.117 -0.405 0.000 1.100 221 I CA 1.272 62.097 61.300 -0.791 0.000 1.374 221 I CB -0.302 37.157 38.000 -0.902 0.000 1.057 221 I HN 0.125 nan 8.210 nan 0.000 0.413 222 D N 1.079 121.408 120.400 -0.118 0.000 2.116 222 D HA -0.226 4.414 4.640 -0.000 0.000 0.193 222 D C 2.313 178.637 176.300 0.041 0.000 0.998 222 D CA 1.675 55.719 54.000 0.073 0.000 0.836 222 D CB 0.035 40.934 40.800 0.164 0.000 0.951 222 D HN 0.106 nan 8.370 nan 0.000 0.449 223 R N -0.658 119.850 120.500 0.014 0.000 2.115 223 R HA 0.047 4.387 4.340 -0.000 0.000 0.230 223 R C 2.459 178.819 176.300 0.100 0.000 1.111 223 R CA 1.117 57.247 56.100 0.050 0.000 0.976 223 R CB -0.394 29.919 30.300 0.021 0.000 0.870 223 R HN 0.259 nan 8.270 nan 0.000 0.445 224 G N 0.700 109.535 108.800 0.059 0.000 2.418 224 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 224 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 224 G C 1.333 176.364 174.900 0.218 0.000 1.158 224 G CA 0.529 45.740 45.100 0.185 0.000 0.771 224 G HN 0.149 nan 8.290 nan 0.000 0.545 225 L N -0.554 120.740 121.223 0.118 0.000 2.072 225 L HA 0.091 4.431 4.340 -0.000 0.000 0.205 225 L C 3.091 180.101 176.870 0.234 0.000 1.079 225 L CA 0.710 55.647 54.840 0.163 0.000 0.752 225 L CB -0.256 41.876 42.059 0.121 0.000 0.906 225 L HN 0.074 nan 8.230 nan 0.000 0.436 226 R N -0.613 119.996 120.500 0.182 0.000 2.092 226 R HA -0.082 4.257 4.340 -0.000 0.000 0.231 226 R C 1.147 177.543 176.300 0.160 0.000 1.119 226 R CA 0.673 56.854 56.100 0.134 0.000 0.970 226 R CB -0.347 30.016 30.300 0.105 0.000 0.864 226 R HN 0.108 nan 8.270 nan 0.000 0.440 230 A N 0.759 123.523 122.820 -0.093 0.000 2.019 230 A HA 0.029 4.349 4.320 -0.000 0.000 0.219 230 A C 1.845 179.340 177.584 -0.149 0.000 1.164 230 A CA 1.639 53.620 52.037 -0.092 0.000 0.644 230 A CB -1.146 17.832 19.000 -0.036 0.000 0.805 230 A HN 0.713 nan 8.150 nan 0.000 0.449 231 C N -0.905 118.243 119.300 -0.253 0.000 2.573 231 C HA 0.434 4.894 4.460 -0.000 0.000 0.273 231 C C 2.002 176.907 174.990 -0.142 0.000 1.346 231 C CA 0.249 59.119 59.018 -0.247 0.000 1.702 231 C CB -1.379 26.126 27.740 -0.390 0.000 1.751 231 C HN 1.016 nan 8.230 nan 0.000 0.583 232 G N 0.156 108.892 108.800 -0.107 0.000 2.176 232 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.253 232 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.253 232 G C 0.134 175.001 174.900 -0.055 0.000 0.979 232 G CA 0.225 45.283 45.100 -0.070 0.000 0.641 232 G HN 0.397 nan 8.290 nan 0.000 0.530 233 V N 1.576 121.454 119.914 -0.059 0.000 2.421 233 V HA 0.529 4.649 4.120 -0.000 0.000 0.271 233 V C 0.925 177.021 176.094 0.004 0.000 1.031 233 V CA 0.515 62.800 62.300 -0.025 0.000 1.032 233 V CB 0.549 32.361 31.823 -0.019 0.000 1.009 233 V HN 1.081 nan 8.190 nan 0.000 0.477 234 A N 3.491 126.314 122.820 0.005 0.000 2.320 234 A HA 0.623 4.943 4.320 -0.000 0.000 0.334 234 A C 1.095 178.702 177.584 0.038 0.000 1.147 234 A CA -0.097 51.949 52.037 0.015 0.000 0.820 234 A CB 0.788 19.784 19.000 -0.008 0.000 1.218 234 A HN 0.966 nan 8.150 nan 0.000 0.482 235 D N 1.385 121.820 120.400 0.058 0.000 3.866 235 D HA -0.404 4.236 4.640 -0.000 0.000 0.210 235 D C 1.403 177.721 176.300 0.031 0.000 1.279 235 D CA 2.412 56.445 54.000 0.056 0.000 0.868 235 D CB -0.222 40.604 40.800 0.043 0.000 0.938 235 D HN 0.567 nan 8.370 nan 0.000 0.571 236 R N 1.228 121.739 120.500 0.019 0.000 2.307 236 R HA 0.020 4.360 4.340 -0.000 0.000 0.199 236 R C 1.498 177.803 176.300 0.008 0.000 1.000 236 R CA 1.612 57.718 56.100 0.011 0.000 1.023 236 R CB -1.959 28.345 30.300 0.007 0.000 0.908 236 R HN 0.575 nan 8.270 nan 0.000 0.473 237 N N 0.852 119.558 118.700 0.010 0.000 2.412 237 N HA 0.105 4.845 4.740 -0.000 0.000 0.184 237 N C 1.783 177.298 175.510 0.007 0.000 1.101 237 N CA 0.565 53.619 53.050 0.006 0.000 0.881 237 N CB -0.069 38.420 38.487 0.002 0.000 0.969 237 N HN 0.085 nan 8.380 nan 0.000 0.459 238 L N -0.114 121.115 121.223 0.010 0.000 2.034 238 L HA 0.144 4.484 4.340 -0.000 0.000 0.203 238 L C 1.176 178.050 176.870 0.005 0.000 1.074 238 L CA 1.459 56.303 54.840 0.007 0.000 0.748 238 L CB -0.189 41.872 42.059 0.004 0.000 0.905 238 L HN 0.827 nan 8.230 nan 0.000 0.439 239 Q N -3.484 116.319 119.800 0.004 0.000 3.092 239 Q HA 0.109 4.449 4.340 -0.000 0.000 0.310 239 Q C -1.395 174.603 176.000 -0.002 0.000 0.885 239 Q CA -0.655 55.148 55.803 0.001 0.000 0.838 239 Q CB 0.067 28.805 28.738 0.000 0.000 1.649 239 Q HN -0.086 nan 8.270 nan 0.000 0.525 240 T N 1.063 115.611 114.554 -0.009 0.000 2.824 240 T HA 0.731 5.080 4.350 -0.000 0.000 0.280 240 T C -0.174 174.509 174.700 -0.028 0.000 0.995 240 T CA 0.083 62.174 62.100 -0.015 0.000 1.009 240 T CB 1.385 70.242 68.868 -0.019 0.000 0.955 240 T HN 0.709 nan 8.240 nan 0.000 0.452 241 A N 3.189 125.992 122.820 -0.027 0.000 2.546 241 A HA 0.277 4.597 4.320 -0.000 0.000 0.243 241 A C 0.205 177.734 177.584 -0.092 0.000 1.063 241 A CA 0.051 52.064 52.037 -0.040 0.000 0.757 241 A CB -0.064 18.924 19.000 -0.019 0.000 0.991 241 A HN 0.837 nan 8.150 nan 0.000 0.503 242 E N 1.789 121.906 120.200 -0.138 0.000 2.155 242 E HA 0.492 4.842 4.350 -0.000 0.000 0.264 242 E C -1.231 175.152 176.600 -0.362 0.000 0.886 242 E CA -0.116 56.095 56.400 -0.315 0.000 0.752 242 E CB 1.642 31.116 29.700 -0.376 0.000 1.133 242 E HN 0.612 nan 8.360 nan 0.000 0.414 243 I N 3.626 123.976 120.570 -0.367 0.000 2.389 243 I HA 0.294 4.464 4.170 -0.000 0.000 0.288 243 I C -0.775 175.147 176.117 -0.324 0.000 0.999 243 I CA -0.835 60.321 61.300 -0.240 0.000 1.129 243 I CB 0.680 38.629 38.000 -0.085 0.000 1.288 243 I HN 0.431 nan 8.210 nan 0.000 0.444 244 Y N 4.097 124.366 120.300 -0.053 0.000 2.354 244 Y HA 0.641 5.191 4.550 -0.000 0.000 0.322 244 Y C 0.619 176.620 175.900 0.168 0.000 1.253 244 Y CA -0.580 57.484 58.100 -0.059 0.000 1.272 244 Y CB 1.264 39.638 38.460 -0.143 0.000 1.255 244 Y HN 0.554 nan 8.280 nan 0.000 0.500 245 A N 1.401 124.595 122.820 0.624 0.000 2.317 245 A HA 0.771 5.090 4.320 -0.000 0.000 0.327 245 A C -0.623 177.159 177.584 0.330 0.000 1.178 245 A CA -0.331 51.933 52.037 0.379 0.000 0.817 245 A CB 0.534 19.713 19.000 0.299 0.000 1.189 245 A HN 0.738 nan 8.150 nan 0.000 0.489 246 S N 1.486 117.346 115.700 0.267 0.000 2.588 246 S HA 0.910 5.380 4.470 -0.000 0.000 0.275 246 S C -0.826 173.915 174.600 0.235 0.000 1.130 246 S CA -0.639 57.699 58.200 0.229 0.000 0.855 246 S CB 1.651 65.039 63.200 0.314 0.000 1.116 246 S HN 1.435 nan 8.310 nan 0.000 0.472 247 H N -0.687 118.347 119.070 -0.061 0.000 2.981 247 H HA 0.483 5.039 4.556 -0.000 0.000 0.327 247 H C -1.307 173.274 175.328 -1.245 0.000 1.342 247 H CA -0.638 55.128 56.048 -0.470 0.000 1.123 247 H CB 1.004 30.618 29.762 -0.247 0.000 1.851 247 H HN 0.817 nan 8.280 nan 0.000 0.531 248 E N 0.874 120.140 120.200 -1.557 0.000 2.351 248 E HA 0.311 4.661 4.350 -0.000 0.000 0.266 248 E C -0.278 176.022 176.600 -0.501 0.000 1.031 248 E CA -0.277 55.276 56.400 -1.411 0.000 0.911 248 E CB 0.382 29.574 29.700 -0.847 0.000 0.986 248 E HN 0.595 nan 8.360 nan 0.000 0.446 249 A N 6.397 128.955 122.820 -0.436 0.000 2.545 249 A HA 0.081 4.401 4.320 -0.000 0.000 0.297 249 A C 0.450 178.018 177.584 -0.028 0.000 1.340 249 A CA -0.010 51.949 52.037 -0.129 0.000 1.016 249 A CB -0.062 18.896 19.000 -0.071 0.000 1.122 249 A HN 0.868 nan 8.150 nan 0.000 0.537 250 L N 2.932 124.157 121.223 0.004 0.000 2.519 250 L HA 0.207 4.547 4.340 -0.000 0.000 0.194 250 L C 0.102 177.045 176.870 0.121 0.000 1.072 250 L CA 0.575 55.438 54.840 0.039 0.000 0.845 250 L CB 0.456 42.475 42.059 -0.067 0.000 1.138 250 L HN 0.362 nan 8.230 nan 0.000 0.487 251 V N 2.331 122.276 119.914 0.053 0.000 2.339 251 V HA 0.073 4.193 4.120 -0.000 0.000 0.261 251 V C 1.346 177.467 176.094 0.046 0.000 1.058 251 V CA 0.025 62.362 62.300 0.062 0.000 0.897 251 V CB 1.125 33.008 31.823 0.101 0.000 1.052 251 V HN 0.313 nan 8.190 nan 0.000 0.480 252 L N 2.001 123.187 121.223 -0.061 0.000 2.217 252 L HA -0.056 4.284 4.340 -0.000 0.000 0.211 252 L C 1.971 178.793 176.870 -0.081 0.000 1.107 252 L CA 0.906 55.613 54.840 -0.222 0.000 0.783 252 L CB -0.211 41.651 42.059 -0.330 0.000 0.919 252 L HN 0.584 nan 8.230 nan 0.000 0.442 253 D N -0.591 119.861 120.400 0.088 0.000 2.144 253 D HA -0.234 4.406 4.640 -0.000 0.000 0.199 253 D C 1.853 178.242 176.300 0.148 0.000 0.984 253 D CA 1.359 55.450 54.000 0.150 0.000 0.834 253 D CB -0.012 40.972 40.800 0.306 0.000 0.955 253 D HN 0.323 nan 8.370 nan 0.000 0.465 254 Y N 1.976 122.317 120.300 0.068 0.000 2.153 254 Y HA -0.136 4.414 4.550 -0.000 0.000 0.289 254 Y C 2.170 178.091 175.900 0.036 0.000 1.127 254 Y CA 1.325 59.462 58.100 0.062 0.000 1.131 254 Y CB 0.053 38.570 38.460 0.094 0.000 0.995 254 Y HN -0.200 nan 8.280 nan 0.000 0.505 255 E N 0.789 121.004 120.200 0.025 0.000 2.118 255 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 255 E C 2.227 178.832 176.600 0.009 0.000 0.992 255 E CA 1.754 58.105 56.400 -0.083 0.000 0.804 255 E CB -0.517 28.948 29.700 -0.391 0.000 0.741 255 E HN 0.688 nan 8.360 nan 0.000 0.458 256 R N 1.081 121.563 120.500 -0.029 0.000 2.115 256 R HA 0.167 4.507 4.340 -0.000 0.000 0.226 256 R C 1.326 177.657 176.300 0.052 0.000 1.100 256 R CA 0.825 57.014 56.100 0.148 0.000 0.980 256 R CB -0.221 30.152 30.300 0.122 0.000 0.875 256 R HN 0.007 nan 8.270 nan 0.000 0.445 260 R N 1.640 122.183 120.500 0.072 0.000 2.808 260 R HA 0.641 4.981 4.340 -0.000 0.000 0.272 260 R C -1.518 174.845 176.300 0.104 0.000 0.995 260 R CA -1.043 55.093 56.100 0.061 0.000 0.917 260 R CB 2.682 33.005 30.300 0.038 0.000 1.217 260 R HN 0.414 nan 8.270 nan 0.000 0.471 261 L N 1.525 122.793 121.223 0.075 0.000 2.276 261 L HA 0.279 4.619 4.340 -0.000 0.000 0.286 261 L C 0.303 177.227 176.870 0.089 0.000 1.061 261 L CA 0.135 55.032 54.840 0.095 0.000 0.807 261 L CB 1.247 43.337 42.059 0.050 0.000 1.177 261 L HN 0.797 nan 8.230 nan 0.000 0.429 262 S N 1.652 117.442 115.700 0.151 0.000 2.593 262 S HA 0.121 4.591 4.470 -0.000 0.000 0.269 262 S C 0.733 175.355 174.600 0.036 0.000 1.334 262 S CA 0.030 58.259 58.200 0.048 0.000 1.015 262 S CB 0.777 64.024 63.200 0.079 0.000 0.912 262 S HN 0.737 nan 8.310 nan 0.000 0.541 263 D N -0.237 120.163 120.400 0.000 0.000 2.347 263 D HA 0.138 4.778 4.640 -0.000 0.000 0.215 263 D C 1.436 177.744 176.300 0.013 0.000 0.976 263 D CA 0.793 54.795 54.000 0.004 0.000 0.884 263 D CB -0.886 39.908 40.800 -0.010 0.000 0.915 263 D HN 1.197 nan 8.370 nan 0.000 0.526 264 G N 0.269 109.083 108.800 0.024 0.000 2.176 264 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.253 264 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.253 264 G C 0.761 175.671 174.900 0.017 0.000 0.979 264 G CA 0.365 45.480 45.100 0.027 0.000 0.641 264 G HN 0.342 nan 8.290 nan 0.000 0.530 265 D N 0.216 120.622 120.400 0.011 0.000 2.224 265 D HA 0.008 4.648 4.640 -0.000 0.000 0.205 265 D C 1.690 177.996 176.300 0.010 0.000 0.965 265 D CA 0.986 54.990 54.000 0.007 0.000 0.852 265 D CB 0.108 40.908 40.800 0.001 0.000 0.947 265 D HN 0.492 nan 8.370 nan 0.000 0.494 266 D N 0.238 120.648 120.400 0.015 0.000 1.971 266 D HA 0.005 4.645 4.640 -0.000 0.000 0.300 266 D C 1.327 177.643 176.300 0.026 0.000 1.091 266 D CA 0.557 54.570 54.000 0.023 0.000 0.835 266 D CB -0.194 40.626 40.800 0.033 0.000 1.002 266 D HN 0.067 nan 8.370 nan 0.000 0.343 267 G N -0.643 108.180 108.800 0.039 0.000 2.679 267 G HA2 0.233 4.193 3.960 -0.000 0.000 0.202 267 G HA3 0.233 4.193 3.960 -0.000 0.000 0.202 267 G C -0.174 174.744 174.900 0.031 0.000 1.566 267 G CA 0.080 45.198 45.100 0.030 0.000 1.074 267 G HN 0.588 nan 8.290 nan 0.000 0.564 268 E N 0.107 120.323 120.200 0.026 0.000 2.318 268 E HA 0.447 4.797 4.350 -0.000 0.000 0.265 268 E C -2.686 173.944 176.600 0.050 0.000 1.069 268 E CA -1.768 54.647 56.400 0.025 0.000 0.893 268 E CB 0.994 30.698 29.700 0.007 0.000 1.076 268 E HN 0.064 nan 8.360 nan 0.000 0.414 269 P HA -0.023 nan 4.420 nan 0.000 0.267 269 P C -1.083 176.254 177.300 0.061 0.000 1.205 269 P CA 0.297 63.439 63.100 0.070 0.000 0.765 269 P CB 0.436 32.163 31.700 0.044 0.000 0.828 270 Q N 1.915 121.778 119.800 0.106 0.000 2.565 270 Q HA 0.472 4.812 4.340 -0.000 0.000 0.294 270 Q C -1.213 174.815 176.000 0.047 0.000 1.005 270 Q CA -1.110 54.703 55.803 0.017 0.000 0.771 270 Q CB 0.986 29.667 28.738 -0.094 0.000 1.486 270 Q HN 0.175 nan 8.270 nan 0.000 0.422 271 L N 1.744 122.923 121.223 -0.073 0.000 2.410 271 L HA 0.350 4.690 4.340 -0.000 0.000 0.273 271 L C -0.930 175.830 176.870 -0.182 0.000 1.144 271 L CA 0.090 54.894 54.840 -0.061 0.000 0.863 271 L CB -0.112 41.875 42.059 -0.121 0.000 1.140 271 L HN 0.499 nan 8.230 nan 0.000 0.463 272 F N 1.088 121.010 119.950 -0.045 0.000 2.532 272 F HA 0.248 4.775 4.527 -0.000 0.000 0.321 272 F C 0.362 176.151 175.800 -0.019 0.000 1.089 272 F CA -0.944 57.036 58.000 -0.032 0.000 0.926 272 F CB 1.533 40.530 39.000 -0.005 0.000 1.168 272 F HN 0.338 nan 8.300 nan 0.000 0.459 273 D N 3.363 123.863 120.400 0.167 0.000 2.339 273 D HA 0.204 4.844 4.640 -0.000 0.000 0.241 273 D C 0.145 176.539 176.300 0.158 0.000 1.183 273 D CA 0.199 54.300 54.000 0.169 0.000 0.859 273 D CB 0.733 41.662 40.800 0.215 0.000 1.067 273 D HN 0.529 nan 8.370 nan 0.000 0.484 274 L N 3.156 124.446 121.223 0.111 0.000 2.791 274 L HA 0.047 4.387 4.340 -0.000 0.000 0.239 274 L C 1.819 178.728 176.870 0.065 0.000 1.203 274 L CA -0.075 54.804 54.840 0.065 0.000 1.002 274 L CB -0.043 42.038 42.059 0.036 0.000 1.295 274 L HN 0.331 nan 8.230 nan 0.000 0.504 275 S N -0.966 114.798 115.700 0.107 0.000 2.528 275 S HA 0.364 4.834 4.470 -0.000 0.000 0.219 275 S C 0.708 175.458 174.600 0.251 0.000 0.985 275 S CA 0.234 58.551 58.200 0.195 0.000 0.914 275 S CB 0.352 63.697 63.200 0.242 0.000 0.776 275 S HN 0.320 nan 8.310 nan 0.000 0.526 276 A N -0.272 122.625 122.820 0.129 0.000 2.511 276 A HA 0.669 4.989 4.320 -0.000 0.000 0.293 276 A C -0.276 177.288 177.584 -0.034 0.000 1.098 276 A CA -0.566 51.511 52.037 0.067 0.000 0.643 276 A CB -0.194 18.881 19.000 0.125 0.000 1.302 276 A HN 0.259 nan 8.150 nan 0.000 0.446 277 H N -0.605 118.559 119.070 0.157 0.000 2.370 277 H HA 0.306 4.862 4.556 -0.000 0.000 0.304 277 H C 0.889 176.264 175.328 0.078 0.000 1.055 277 H CA 1.848 57.980 56.048 0.140 0.000 1.373 277 H CB 0.503 30.388 29.762 0.205 0.000 1.423 277 H HN 0.642 nan 8.280 nan 0.000 0.533 278 T N 0.360 115.020 114.554 0.177 0.000 2.903 278 T HA 0.557 4.907 4.350 -0.000 0.000 0.299 278 T C -1.427 173.302 174.700 0.048 0.000 1.093 278 T CA -0.534 61.624 62.100 0.096 0.000 1.002 278 T CB 1.116 70.027 68.868 0.071 0.000 1.127 278 T HN 0.120 nan 8.240 nan 0.000 0.488 279 V N 1.189 121.117 119.914 0.023 0.000 3.078 279 V HA 1.009 5.129 4.120 -0.000 0.000 0.311 279 V C -1.349 174.799 176.094 0.091 0.000 1.138 279 V CA -1.270 60.972 62.300 -0.097 0.000 1.007 279 V CB 1.512 33.186 31.823 -0.248 0.000 1.045 279 V HN 1.112 nan 8.190 nan 0.000 0.432 280 W N 1.432 122.711 121.300 -0.036 0.000 2.820 280 W HA 0.931 5.591 4.660 -0.000 0.000 0.350 280 W C -1.478 175.024 176.519 -0.029 0.000 1.116 280 W CA -1.574 55.756 57.345 -0.024 0.000 1.146 280 W CB 1.122 30.583 29.460 0.002 0.000 1.433 280 W HN 0.607 nan 8.180 nan 0.000 0.561 281 I N 3.013 123.685 120.570 0.171 0.000 2.339 281 I HA 0.510 4.680 4.170 -0.000 0.000 0.290 281 I C 0.992 177.172 176.117 0.105 0.000 0.994 281 I CA -0.737 60.586 61.300 0.039 0.000 1.191 281 I CB 1.142 39.151 38.000 0.014 0.000 1.343 281 I HN 0.776 nan 8.210 nan 0.000 0.458 282 G N 3.209 112.026 108.800 0.028 0.000 2.616 282 G HA2 0.077 4.037 3.960 -0.000 0.000 0.268 282 G HA3 0.077 4.037 3.960 -0.000 0.000 0.268 282 G C 0.687 175.565 174.900 -0.036 0.000 1.213 282 G CA -0.179 44.952 45.100 0.051 0.000 0.926 282 G HN 0.748 nan 8.290 nan 0.000 0.523 283 E N -0.407 119.769 120.200 -0.040 0.000 2.160 283 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 283 E C 2.292 178.871 176.600 -0.035 0.000 0.991 283 E CA 1.312 57.692 56.400 -0.034 0.000 0.810 283 E CB 0.009 29.690 29.700 -0.031 0.000 0.742 283 E HN 0.527 nan 8.360 nan 0.000 0.466 284 R N -0.884 119.579 120.500 -0.062 0.000 2.310 284 R HA 0.093 4.433 4.340 -0.000 0.000 0.202 284 R C 0.978 177.220 176.300 -0.096 0.000 0.933 284 R CA 1.255 57.317 56.100 -0.063 0.000 1.054 284 R CB 0.328 30.590 30.300 -0.063 0.000 0.985 284 R HN 0.248 nan 8.270 nan 0.000 0.489 285 T N -2.286 112.177 114.554 -0.153 0.000 3.111 285 T HA 0.109 4.459 4.350 -0.000 0.000 0.284 285 T C 1.028 175.656 174.700 -0.119 0.000 0.983 285 T CA -0.624 61.317 62.100 -0.266 0.000 0.900 285 T CB 0.149 68.556 68.868 -0.769 0.000 1.132 285 T HN 0.231 nan 8.240 nan 0.000 0.531 286 R N 0.868 121.351 120.500 -0.028 0.000 2.363 286 R HA 0.315 4.655 4.340 -0.000 0.000 0.236 286 R C -0.403 176.010 176.300 0.189 0.000 0.966 286 R CA -0.540 55.593 56.100 0.055 0.000 1.100 286 R CB -0.596 29.683 30.300 -0.034 0.000 1.125 286 R HN 0.203 nan 8.270 nan 0.000 0.514 287 Q N 1.095 120.975 119.800 0.132 0.000 2.436 287 Q HA -0.092 4.248 4.340 -0.000 0.000 0.326 287 Q C 0.908 177.001 176.000 0.156 0.000 1.079 287 Q CA 0.106 55.985 55.803 0.128 0.000 1.049 287 Q CB 0.436 29.228 28.738 0.089 0.000 1.047 287 Q HN 0.299 nan 8.270 nan 0.000 0.386 288 I N 2.067 122.712 120.570 0.124 0.000 2.315 288 I HA -0.273 3.897 4.170 -0.000 0.000 0.251 288 I C 0.596 176.749 176.117 0.061 0.000 1.125 288 I CA 1.742 63.086 61.300 0.074 0.000 1.392 288 I CB 0.161 38.102 38.000 -0.099 0.000 1.065 288 I HN 0.631 nan 8.210 nan 0.000 0.424 289 D N 0.521 120.951 120.400 0.049 0.000 2.388 289 D HA 0.219 4.859 4.640 -0.000 0.000 0.221 289 D C 0.749 177.085 176.300 0.060 0.000 1.133 289 D CA 0.319 54.345 54.000 0.043 0.000 0.831 289 D CB -0.052 40.762 40.800 0.023 0.000 0.962 289 D HN 0.374 nan 8.370 nan 0.000 0.502 290 G N -0.086 108.768 108.800 0.090 0.000 2.528 290 G HA2 0.394 4.354 3.960 -0.000 0.000 0.289 290 G HA3 0.394 4.354 3.960 -0.000 0.000 0.289 290 G C 1.100 176.062 174.900 0.104 0.000 1.192 290 G CA -0.044 45.120 45.100 0.105 0.000 0.921 290 G HN 0.051 nan 8.290 nan 0.000 0.512 291 A N -0.604 122.258 122.820 0.070 0.000 1.972 291 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 291 A C 1.974 179.551 177.584 -0.012 0.000 1.169 291 A CA 1.992 54.029 52.037 0.000 0.000 0.635 291 A CB -0.693 18.254 19.000 -0.088 0.000 0.810 291 A HN 0.762 nan 8.150 nan 0.000 0.446 292 H N -0.276 118.836 119.070 0.069 0.000 2.326 292 H HA -0.039 4.517 4.556 -0.000 0.000 0.301 292 H C 1.928 177.332 175.328 0.127 0.000 1.081 292 H CA 1.700 57.795 56.048 0.078 0.000 1.334 292 H CB -0.118 29.658 29.762 0.022 0.000 1.385 292 H HN 0.340 nan 8.280 nan 0.000 0.504 293 I N 0.632 121.339 120.570 0.229 0.000 2.286 293 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 293 I C 2.523 178.718 176.117 0.130 0.000 1.115 293 I CA 1.249 62.653 61.300 0.173 0.000 1.392 293 I CB -1.294 36.825 38.000 0.199 0.000 1.065 293 I HN 0.296 nan 8.210 nan 0.000 0.418 294 A N 0.520 123.411 122.820 0.118 0.000 1.898 294 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 294 A C 2.297 179.928 177.584 0.077 0.000 1.181 294 A CA 1.225 53.308 52.037 0.077 0.000 0.620 294 A CB -1.034 18.005 19.000 0.065 0.000 0.819 294 A HN 0.367 nan 8.150 nan 0.000 0.442 295 F N 1.120 121.057 119.950 -0.022 0.000 2.095 295 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 295 F C 2.522 178.309 175.800 -0.022 0.000 1.104 295 F CA 1.443 59.423 58.000 -0.032 0.000 1.232 295 F CB -0.427 38.540 39.000 -0.054 0.000 0.987 295 F HN 0.244 nan 8.300 nan 0.000 0.475 296 A N -0.189 122.702 122.820 0.118 0.000 1.978 296 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 296 A C 2.092 179.622 177.584 -0.090 0.000 1.170 296 A CA 1.889 53.932 52.037 0.011 0.000 0.636 296 A CB -0.810 18.240 19.000 0.083 0.000 0.810 296 A HN 0.656 nan 8.150 nan 0.000 0.448 297 Q N -0.957 118.799 119.800 -0.073 0.000 2.172 297 Q HA -0.043 4.297 4.340 -0.000 0.000 0.200 297 Q C 1.896 177.811 176.000 -0.141 0.000 0.964 297 Q CA 1.348 57.097 55.803 -0.090 0.000 0.855 297 Q CB -0.162 28.541 28.738 -0.059 0.000 0.918 297 Q HN 0.489 nan 8.270 nan 0.000 0.444 298 V N 1.503 121.295 119.914 -0.204 0.000 2.951 298 V HA -0.010 4.110 4.120 -0.000 0.000 0.255 298 V C 1.179 177.090 176.094 -0.304 0.000 1.088 298 V CA 0.505 62.665 62.300 -0.234 0.000 1.109 298 V CB -0.154 31.528 31.823 -0.235 0.000 0.724 298 V HN 0.315 nan 8.190 nan 0.000 0.471 299 I N -1.879 118.462 120.570 -0.383 0.000 2.499 299 I HA 0.583 4.753 4.170 -0.000 0.000 0.296 299 I C 1.219 177.138 176.117 -0.330 0.000 0.992 299 I CA -0.218 60.853 61.300 -0.381 0.000 1.297 299 I CB 1.532 39.286 38.000 -0.411 0.000 1.410 299 I HN -0.036 nan 8.210 nan 0.000 0.507 300 A N 4.134 126.659 122.820 -0.492 0.000 2.167 300 A HA 0.058 4.378 4.320 -0.000 0.000 0.214 300 A C 0.773 178.162 177.584 -0.325 0.000 1.151 300 A CA 0.303 52.005 52.037 -0.558 0.000 0.735 300 A CB -1.089 17.194 19.000 -1.195 0.000 0.802 300 A HN 0.886 nan 8.150 nan 0.000 0.467 301 N N 1.026 119.615 118.700 -0.185 0.000 2.441 301 N HA 0.312 5.052 4.740 -0.000 0.000 0.251 301 N C -2.819 172.680 175.510 -0.019 0.000 1.242 301 N CA -0.841 52.208 53.050 -0.001 0.000 0.898 301 N CB -0.038 38.482 38.487 0.054 0.000 1.100 301 N HN 0.089 nan 8.380 nan 0.000 0.443 302 P HA 0.000 nan 4.420 nan 0.000 0.266 302 P C -0.736 176.566 177.300 0.003 0.000 1.195 302 P CA -0.140 62.952 63.100 -0.014 0.000 0.768 302 P CB 0.542 32.224 31.700 -0.030 0.000 0.838 303 V N 0.239 120.152 119.914 -0.003 0.000 3.001 303 V HA 0.988 5.108 4.120 -0.000 0.000 0.314 303 V C -0.098 176.010 176.094 0.024 0.000 1.099 303 V CA -0.869 61.447 62.300 0.026 0.000 0.989 303 V CB 2.004 33.838 31.823 0.018 0.000 1.040 303 V HN 0.627 nan 8.190 nan 0.000 0.434 304 G N 0.521 109.372 108.800 0.086 0.000 2.498 304 G HA2 0.688 4.648 3.960 -0.000 0.000 0.312 304 G HA3 0.688 4.648 3.960 -0.000 0.000 0.312 304 G C -1.489 173.443 174.900 0.054 0.000 1.230 304 G CA -0.894 44.243 45.100 0.062 0.000 0.968 304 G HN 1.128 nan 8.290 nan 0.000 0.481 305 V N 1.988 121.869 119.914 -0.055 0.000 2.531 305 V HA 0.372 4.491 4.120 -0.000 0.000 0.301 305 V C -0.586 175.440 176.094 -0.113 0.000 1.034 305 V CA -1.291 60.925 62.300 -0.140 0.000 0.865 305 V CB 1.801 33.366 31.823 -0.431 0.000 0.995 305 V HN 0.594 nan 8.190 nan 0.000 0.424 306 K N 5.095 125.453 120.400 -0.071 0.000 2.368 306 K HA 0.484 4.804 4.320 -0.000 0.000 0.282 306 K C -0.759 175.809 176.600 -0.054 0.000 1.035 306 K CA 0.031 56.272 56.287 -0.076 0.000 0.973 306 K CB 1.011 33.464 32.500 -0.079 0.000 0.957 306 K HN 0.527 nan 8.250 nan 0.000 0.474 307 L N 2.328 123.547 121.223 -0.007 0.000 2.342 307 L HA 0.384 4.724 4.340 -0.000 0.000 0.276 307 L C 0.841 177.739 176.870 0.046 0.000 0.997 307 L CA -0.813 54.054 54.840 0.045 0.000 0.838 307 L CB 1.794 43.917 42.059 0.107 0.000 1.224 307 L HN 0.651 nan 8.230 nan 0.000 0.416 308 G N 2.294 111.118 108.800 0.041 0.000 2.537 308 G HA2 0.439 4.399 3.960 -0.000 0.000 0.297 308 G HA3 0.439 4.399 3.960 -0.000 0.000 0.297 308 G C -1.468 173.453 174.900 0.035 0.000 1.310 308 G CA -0.831 44.289 45.100 0.034 0.000 1.027 308 G HN 0.470 nan 8.290 nan 0.000 0.505 309 P HA -0.054 nan 4.420 nan 0.000 0.222 309 P C 0.339 177.650 177.300 0.019 0.000 1.147 309 P CA 0.586 63.691 63.100 0.008 0.000 0.790 309 P CB 0.152 31.848 31.700 -0.006 0.000 0.780 313 P HA 0.019 nan 4.420 nan 0.000 0.219 313 P C 1.078 178.398 177.300 0.034 0.000 1.146 313 P CA 1.083 64.211 63.100 0.048 0.000 0.808 313 P CB 0.134 31.851 31.700 0.029 0.000 0.779 314 E N -0.848 119.357 120.200 0.009 0.000 2.072 314 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 314 E C 1.794 178.362 176.600 -0.053 0.000 0.982 314 E CA 0.583 56.973 56.400 -0.016 0.000 0.803 314 E CB -1.143 28.544 29.700 -0.022 0.000 0.755 314 E HN 0.096 nan 8.360 nan 0.000 0.453 315 L N 0.619 121.805 121.223 -0.062 0.000 2.093 315 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 315 L C 2.018 178.766 176.870 -0.204 0.000 1.085 315 L CA 1.915 56.653 54.840 -0.170 0.000 0.755 315 L CB -0.882 41.105 42.059 -0.120 0.000 0.904 315 L HN 0.110 nan 8.230 nan 0.000 0.435 316 A N -1.080 121.755 122.820 0.027 0.000 1.908 316 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 316 A C 2.282 179.923 177.584 0.096 0.000 1.181 316 A CA 2.096 54.240 52.037 0.179 0.000 0.627 316 A CB -1.133 17.996 19.000 0.216 0.000 0.818 316 A HN 0.301 nan 8.150 nan 0.000 0.445 317 V N -0.118 119.811 119.914 0.025 0.000 2.407 317 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 317 V C 2.391 178.439 176.094 -0.076 0.000 1.055 317 V CA 2.187 64.479 62.300 -0.013 0.000 1.049 317 V CB -0.732 31.088 31.823 -0.004 0.000 0.662 317 V HN 0.634 nan 8.190 nan 0.000 0.455 318 E N -0.876 119.239 120.200 -0.141 0.000 2.077 318 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 318 E C 2.192 178.684 176.600 -0.180 0.000 0.989 318 E CA 1.518 57.800 56.400 -0.197 0.000 0.800 318 E CB -0.176 29.355 29.700 -0.281 0.000 0.746 318 E HN 0.688 nan 8.360 nan 0.000 0.452 319 Y N 0.064 120.337 120.300 -0.045 0.000 2.165 319 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 319 Y C 2.319 178.157 175.900 -0.104 0.000 1.155 319 Y CA 0.687 58.754 58.100 -0.056 0.000 1.164 319 Y CB -0.867 37.572 38.460 -0.035 0.000 0.978 319 Y HN -0.078 nan 8.280 nan 0.000 0.513 320 V N 0.064 119.981 119.914 0.006 0.000 2.343 320 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 320 V C 2.028 177.962 176.094 -0.267 0.000 1.051 320 V CA 2.162 64.363 62.300 -0.166 0.000 1.036 320 V CB -0.564 31.124 31.823 -0.225 0.000 0.654 320 V HN 0.411 nan 8.190 nan 0.000 0.451 321 E N -0.489 119.588 120.200 -0.204 0.000 2.106 321 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 321 E C 2.524 179.054 176.600 -0.117 0.000 0.984 321 E CA 0.744 57.040 56.400 -0.173 0.000 0.806 321 E CB -0.114 29.519 29.700 -0.111 0.000 0.750 321 E HN 0.426 nan 8.360 nan 0.000 0.458 322 R N 0.323 120.778 120.500 -0.074 0.000 2.073 322 R HA -0.005 4.335 4.340 -0.000 0.000 0.229 322 R C 2.214 178.477 176.300 -0.062 0.000 1.120 322 R CA 0.911 56.982 56.100 -0.047 0.000 0.967 322 R CB -0.269 30.036 30.300 0.007 0.000 0.862 322 R HN 0.246 nan 8.270 nan 0.000 0.436 323 L N -0.148 121.047 121.223 -0.046 0.000 2.554 323 L HA 0.118 4.458 4.340 -0.000 0.000 0.225 323 L C 0.305 177.124 176.870 -0.085 0.000 1.104 323 L CA 0.235 55.044 54.840 -0.052 0.000 0.866 323 L CB 0.186 42.239 42.059 -0.010 0.000 1.047 323 L HN -0.033 nan 8.230 nan 0.000 0.468 324 D N -0.305 120.030 120.400 -0.109 0.000 2.945 324 D HA 0.126 4.766 4.640 -0.000 0.000 0.369 324 D C -1.592 174.679 176.300 -0.047 0.000 1.294 324 D CA -1.564 52.397 54.000 -0.066 0.000 0.778 324 D CB 0.678 41.473 40.800 -0.008 0.000 1.188 324 D HN -0.094 nan 8.370 nan 0.000 0.479 325 P HA -0.129 nan 4.420 nan 0.000 0.218 325 P C 0.591 177.856 177.300 -0.059 0.000 1.149 325 P CA 1.127 64.123 63.100 -0.174 0.000 0.817 325 P CB 0.014 31.495 31.700 -0.364 0.000 0.785 326 H N -1.576 117.539 119.070 0.075 0.000 2.526 326 H HA 0.189 4.745 4.556 -0.000 0.000 0.274 326 H C 0.196 175.542 175.328 0.031 0.000 0.999 326 H CA -0.262 55.810 56.048 0.041 0.000 1.157 326 H CB -0.821 28.945 29.762 0.006 0.000 1.407 326 H HN 0.063 nan 8.280 nan 0.000 0.568 327 N N 1.847 120.645 118.700 0.164 0.000 2.696 327 N HA -0.169 4.571 4.740 -0.000 0.000 0.256 327 N C -1.239 174.292 175.510 0.034 0.000 1.031 327 N CA -0.011 53.053 53.050 0.025 0.000 0.730 327 N CB -0.192 38.147 38.487 -0.247 0.000 0.894 327 N HN 0.158 nan 8.380 nan 0.000 0.544 328 K N 1.358 121.802 120.400 0.072 0.000 2.281 328 K HA 0.350 4.670 4.320 -0.000 0.000 0.272 328 K C -2.497 174.115 176.600 0.020 0.000 1.048 328 K CA -1.684 54.626 56.287 0.039 0.000 0.898 328 K CB 1.258 33.787 32.500 0.048 0.000 1.128 328 K HN 0.155 nan 8.250 nan 0.000 0.460 329 P HA -0.018 nan 4.420 nan 0.000 0.265 329 P C 0.835 178.122 177.300 -0.022 0.000 1.193 329 P CA 0.684 63.778 63.100 -0.010 0.000 0.765 329 P CB 0.528 32.220 31.700 -0.014 0.000 0.823 330 G N 3.121 111.897 108.800 -0.041 0.000 2.179 330 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.260 330 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.260 330 G C 1.275 176.142 174.900 -0.054 0.000 0.977 330 G CA 0.575 45.641 45.100 -0.057 0.000 0.641 330 G HN 0.625 nan 8.290 nan 0.000 0.533 331 R N -0.054 120.423 120.500 -0.037 0.000 2.115 331 R HA 0.271 4.611 4.340 -0.000 0.000 0.230 331 R C 1.080 177.350 176.300 -0.051 0.000 1.111 331 R CA 1.751 57.830 56.100 -0.035 0.000 0.976 331 R CB -0.223 30.068 30.300 -0.015 0.000 0.870 331 R HN 0.870 nan 8.270 nan 0.000 0.445 332 L N 0.363 121.544 121.223 -0.070 0.000 2.341 332 L HA 0.510 4.850 4.340 -0.000 0.000 0.278 332 L C -1.347 175.437 176.870 -0.143 0.000 1.005 332 L CA -0.226 54.557 54.840 -0.095 0.000 0.818 332 L CB 2.439 44.438 42.059 -0.100 0.000 1.259 332 L HN 0.056 nan 8.230 nan 0.000 0.418 333 T N 5.960 120.435 114.554 -0.131 0.000 2.779 333 T HA 0.554 4.904 4.350 -0.000 0.000 0.280 333 T C -0.387 174.213 174.700 -0.166 0.000 0.987 333 T CA -0.311 61.691 62.100 -0.163 0.000 0.966 333 T CB 0.907 69.709 68.868 -0.110 0.000 0.933 333 T HN 0.440 nan 8.240 nan 0.000 0.442 334 L N 3.445 124.526 121.223 -0.236 0.000 2.264 334 L HA 0.530 4.870 4.340 -0.000 0.000 0.289 334 L C -0.416 176.468 176.870 0.022 0.000 1.044 334 L CA -0.995 53.767 54.840 -0.129 0.000 0.807 334 L CB 1.240 43.179 42.059 -0.200 0.000 1.192 334 L HN 0.352 nan 8.230 nan 0.000 0.425 335 V N 2.243 122.162 119.914 0.010 0.000 2.311 335 V HA 0.156 4.276 4.120 -0.000 0.000 0.275 335 V C 0.499 176.617 176.094 0.039 0.000 1.022 335 V CA -0.427 61.873 62.300 -0.001 0.000 0.830 335 V CB 1.234 32.996 31.823 -0.100 0.000 1.012 335 V HN 0.816 nan 8.190 nan 0.000 0.452 336 S N 6.538 122.305 115.700 0.111 0.000 2.481 336 S HA 0.611 5.081 4.470 -0.000 0.000 0.276 336 S C 0.035 174.648 174.600 0.022 0.000 1.247 336 S CA -0.572 57.703 58.200 0.125 0.000 1.053 336 S CB 0.101 63.467 63.200 0.277 0.000 0.925 336 S HN 0.851 nan 8.310 nan 0.000 0.491 340 N N 0.584 119.325 118.700 0.068 0.000 2.309 340 N HA -0.172 4.568 4.740 -0.000 0.000 0.182 340 N C 1.432 176.984 175.510 0.071 0.000 1.018 340 N CA 1.864 54.958 53.050 0.073 0.000 0.876 340 N CB -0.408 38.136 38.487 0.096 0.000 0.972 340 N HN 0.808 nan 8.380 nan 0.000 0.434 341 H N -0.620 118.457 119.070 0.012 0.000 2.548 341 H HA 0.260 4.815 4.556 -0.000 0.000 0.268 341 H C 0.634 175.967 175.328 0.009 0.000 0.975 341 H CA 0.365 56.416 56.048 0.006 0.000 1.195 341 H CB 0.021 29.784 29.762 0.001 0.000 1.397 341 H HN 0.267 nan 8.280 nan 0.000 0.572 342 K N 0.149 120.325 120.400 -0.374 0.000 2.425 342 K HA 0.132 4.452 4.320 -0.000 0.000 0.201 342 K C 1.890 178.416 176.600 -0.123 0.000 1.128 342 K CA 0.330 56.465 56.287 -0.252 0.000 1.000 342 K CB 1.027 33.320 32.500 -0.346 0.000 0.961 342 K HN -0.005 nan 8.250 nan 0.000 0.555 343 V N 1.606 121.467 119.914 -0.088 0.000 2.358 343 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 343 V C 1.750 177.817 176.094 -0.044 0.000 1.047 343 V CA 1.822 64.102 62.300 -0.034 0.000 1.035 343 V CB -0.085 31.756 31.823 0.030 0.000 0.658 343 V HN 0.182 nan 8.190 nan 0.000 0.452 344 R N 0.698 121.177 120.500 -0.036 0.000 2.096 344 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 344 R C 1.948 178.210 176.300 -0.063 0.000 1.127 344 R CA 2.001 58.072 56.100 -0.048 0.000 0.968 344 R CB -0.622 29.664 30.300 -0.024 0.000 0.861 344 R HN 0.578 nan 8.270 nan 0.000 0.440 345 D N -0.071 120.298 120.400 -0.053 0.000 2.162 345 D HA -0.029 4.611 4.640 -0.000 0.000 0.205 345 D C 1.880 178.144 176.300 -0.059 0.000 0.964 345 D CA 0.973 54.943 54.000 -0.050 0.000 0.847 345 D CB 0.031 40.809 40.800 -0.035 0.000 0.988 345 D HN 0.189 nan 8.370 nan 0.000 0.480 346 L N 0.194 121.381 121.223 -0.060 0.000 2.249 346 L HA 0.007 4.347 4.340 -0.000 0.000 0.207 346 L C 2.263 179.096 176.870 -0.063 0.000 1.090 346 L CA 0.116 54.926 54.840 -0.050 0.000 0.802 346 L CB -0.022 42.013 42.059 -0.040 0.000 0.947 346 L HN 0.005 nan 8.230 nan 0.000 0.453 347 L N 0.929 122.097 121.223 -0.091 0.000 2.072 347 L HA 0.003 4.343 4.340 -0.000 0.000 0.205 347 L C -0.531 176.201 176.870 -0.230 0.000 1.079 347 L CA 1.816 56.569 54.840 -0.145 0.000 0.752 347 L CB -1.387 40.570 42.059 -0.170 0.000 0.906 347 L HN 0.017 nan 8.230 nan 0.000 0.436 348 P HA -0.133 nan 4.420 nan 0.000 0.215 348 P C -1.432 175.761 177.300 -0.178 0.000 1.157 348 P CA 2.102 65.057 63.100 -0.241 0.000 0.874 348 P CB -1.305 30.287 31.700 -0.180 0.000 0.790 349 P HA -0.077 nan 4.420 nan 0.000 0.221 349 P C 1.566 178.834 177.300 -0.052 0.000 1.150 349 P CA 1.156 64.214 63.100 -0.071 0.000 0.800 349 P CB -0.408 31.266 31.700 -0.043 0.000 0.787 350 I N -0.485 120.051 120.570 -0.057 0.000 2.142 350 I HA -0.212 3.958 4.170 -0.000 0.000 0.240 350 I C 2.541 178.652 176.117 -0.009 0.000 1.078 350 I CA 1.337 62.642 61.300 0.010 0.000 1.343 350 I CB -0.994 37.041 38.000 0.059 0.000 1.046 350 I HN -0.214 nan 8.210 nan 0.000 0.405 351 V N 0.723 120.469 119.914 -0.281 0.000 2.252 351 V HA -0.326 3.794 4.120 -0.000 0.000 0.249 351 V C 2.392 178.422 176.094 -0.106 0.000 1.056 351 V CA 2.166 64.166 62.300 -0.500 0.000 1.022 351 V CB -0.844 30.447 31.823 -0.887 0.000 0.641 351 V HN 0.452 nan 8.190 nan 0.000 0.445 352 E N -0.246 119.889 120.200 -0.110 0.000 2.049 352 E HA -0.268 4.081 4.350 -0.000 0.000 0.198 352 E C 2.390 179.012 176.600 0.035 0.000 1.007 352 E CA 1.309 57.690 56.400 -0.032 0.000 0.809 352 E CB -0.245 29.427 29.700 -0.047 0.000 0.749 352 E HN 0.364 nan 8.360 nan 0.000 0.450 353 K N 0.702 121.128 120.400 0.043 0.000 2.057 353 K HA -0.115 4.205 4.320 -0.000 0.000 0.207 353 K C 2.187 178.857 176.600 0.117 0.000 1.049 353 K CA 0.813 57.140 56.287 0.068 0.000 0.931 353 K CB -0.319 32.215 32.500 0.057 0.000 0.714 353 K HN 0.048 nan 8.250 nan 0.000 0.440 354 V N 1.630 121.662 119.914 0.197 0.000 2.358 354 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 354 V C 2.460 178.706 176.094 0.254 0.000 1.047 354 V CA 1.403 63.858 62.300 0.259 0.000 1.035 354 V CB -0.366 31.722 31.823 0.442 0.000 0.658 354 V HN 0.292 nan 8.190 nan 0.000 0.452 355 Q N 0.258 120.225 119.800 0.277 0.000 2.152 355 Q HA -0.172 4.168 4.340 -0.000 0.000 0.206 355 Q C 2.332 178.418 176.000 0.144 0.000 0.985 355 Q CA 1.921 57.855 55.803 0.219 0.000 0.863 355 Q CB -0.736 28.106 28.738 0.173 0.000 0.904 355 Q HN 0.660 nan 8.270 nan 0.000 0.422 356 A N 0.784 123.673 122.820 0.114 0.000 2.216 356 A HA -0.090 4.229 4.320 -0.000 0.000 0.214 356 A C 2.104 179.744 177.584 0.094 0.000 1.160 356 A CA 1.595 53.682 52.037 0.083 0.000 0.725 356 A CB -0.586 18.451 19.000 0.061 0.000 0.784 356 A HN 0.519 nan 8.150 nan 0.000 0.472 357 T N -4.432 110.201 114.554 0.131 0.000 3.023 357 T HA 0.318 4.668 4.350 -0.000 0.000 0.266 357 T C 1.635 176.449 174.700 0.189 0.000 1.093 357 T CA 1.211 63.417 62.100 0.176 0.000 1.129 357 T CB -0.173 68.826 68.868 0.218 0.000 0.899 357 T HN 1.560 nan 8.240 nan 0.000 0.491 358 G N 0.946 109.819 108.800 0.123 0.000 2.199 358 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.254 358 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.254 358 G C 0.055 174.933 174.900 -0.035 0.000 0.982 358 G CA 0.146 45.263 45.100 0.027 0.000 0.632 358 G HN 0.733 nan 8.290 nan 0.000 0.529 359 H N 0.701 119.786 119.070 0.025 0.000 2.511 359 H HA 0.427 4.983 4.556 -0.000 0.000 0.346 359 H C 0.104 175.433 175.328 0.002 0.000 1.128 359 H CA 0.070 56.121 56.048 0.006 0.000 1.342 359 H CB 0.793 30.549 29.762 -0.009 0.000 1.470 359 H HN 0.364 nan 8.280 nan 0.000 0.546 360 Q N 2.471 122.320 119.800 0.082 0.000 2.506 360 Q HA 0.268 4.608 4.340 -0.000 0.000 0.242 360 Q C 0.055 176.026 176.000 -0.049 0.000 1.060 360 Q CA -0.622 55.196 55.803 0.025 0.000 0.826 360 Q CB 1.547 30.293 28.738 0.013 0.000 1.169 360 Q HN 0.406 nan 8.270 nan 0.000 0.521 361 V N -0.075 119.742 119.914 -0.163 0.000 3.036 361 V HA 0.508 4.628 4.120 -0.000 0.000 0.308 361 V C 0.134 175.997 176.094 -0.385 0.000 1.070 361 V CA -0.795 61.306 62.300 -0.331 0.000 1.056 361 V CB 0.910 32.379 31.823 -0.590 0.000 1.084 361 V HN 0.546 nan 8.190 nan 0.000 0.471 362 I N 1.791 122.157 120.570 -0.340 0.000 2.365 362 I HA 0.291 4.461 4.170 -0.000 0.000 0.291 362 I C -0.697 175.204 176.117 -0.359 0.000 1.004 362 I CA 0.006 61.154 61.300 -0.253 0.000 1.311 362 I CB 1.008 38.920 38.000 -0.146 0.000 1.401 362 I HN 0.699 nan 8.210 nan 0.000 0.491 363 W N 6.362 127.661 121.300 -0.003 0.000 2.332 363 W HA 0.428 5.088 4.660 -0.000 0.000 0.306 363 W C 0.180 176.776 176.519 0.127 0.000 1.149 363 W CA -0.336 57.056 57.345 0.078 0.000 1.271 363 W CB 0.637 30.096 29.460 -0.002 0.000 1.243 363 W HN 0.416 nan 8.180 nan 0.000 0.459 364 Q N 3.485 123.443 119.800 0.264 0.000 2.365 364 Q HA 0.493 4.833 4.340 -0.000 0.000 0.269 364 Q C -1.032 174.807 176.000 -0.268 0.000 1.061 364 Q CA -0.782 54.991 55.803 -0.050 0.000 0.816 364 Q CB 2.245 30.904 28.738 -0.131 0.000 1.325 364 Q HN 0.641 nan 8.270 nan 0.000 0.446 365 C N 3.391 122.210 119.300 -0.802 0.000 2.295 365 C HA 0.452 4.912 4.460 -0.000 0.000 0.331 365 C C -0.618 174.145 174.990 -0.378 0.000 1.280 365 C CA -0.353 58.142 59.018 -0.873 0.000 1.746 365 C CB 0.484 27.238 27.740 -1.643 0.000 2.328 365 C HN 0.850 nan 8.230 nan 0.000 0.521 366 D N 8.099 128.357 120.400 -0.236 0.000 2.472 366 D HA 0.472 5.112 4.640 -0.000 0.000 0.234 366 D C -2.173 174.041 176.300 -0.143 0.000 1.088 366 D CA -1.559 52.335 54.000 -0.177 0.000 0.882 366 D CB 1.533 42.218 40.800 -0.192 0.000 1.037 366 D HN 0.480 nan 8.370 nan 0.000 0.520 370 G N -0.210 108.633 108.800 0.072 0.000 3.228 370 G HA2 0.014 3.974 3.960 -0.000 0.000 0.245 370 G HA3 0.014 3.974 3.960 -0.000 0.000 0.245 370 G C 0.592 175.560 174.900 0.114 0.000 1.051 370 G CA -0.099 45.050 45.100 0.083 0.000 0.809 370 G HN 0.090 nan 8.290 nan 0.000 0.531 371 N N 0.921 119.678 118.700 0.095 0.000 2.351 371 N HA 0.105 4.845 4.740 -0.000 0.000 0.254 371 N C -0.402 175.207 175.510 0.165 0.000 1.241 371 N CA 0.029 53.153 53.050 0.125 0.000 0.883 371 N CB 1.297 39.840 38.487 0.093 0.000 1.202 371 N HN -0.024 nan 8.380 nan 0.000 0.512 372 T N 1.491 116.139 114.554 0.156 0.000 2.889 372 T HA 0.247 4.597 4.350 -0.000 0.000 0.291 372 T C 0.163 175.006 174.700 0.238 0.000 0.995 372 T CA -0.162 62.041 62.100 0.171 0.000 1.092 372 T CB 1.233 70.173 68.868 0.120 0.000 0.954 372 T HN 0.327 nan 8.240 nan 0.000 0.506 373 H N 0.541 119.666 119.070 0.091 0.000 2.959 373 H HA 0.550 5.106 4.556 -0.000 0.000 0.296 373 H C -1.145 174.235 175.328 0.086 0.000 1.421 373 H CA -1.188 54.908 56.048 0.080 0.000 1.206 373 H CB 1.314 31.120 29.762 0.075 0.000 1.891 373 H HN 0.685 nan 8.280 nan 0.000 0.573 374 E N 1.135 121.329 120.200 -0.010 0.000 2.176 374 E HA 0.423 4.773 4.350 -0.000 0.000 0.267 374 E C -0.423 176.177 176.600 -0.000 0.000 0.893 374 E CA -0.980 55.371 56.400 -0.082 0.000 0.761 374 E CB 1.761 31.452 29.700 -0.014 0.000 1.133 374 E HN 0.682 nan 8.360 nan 0.000 0.409 375 S N 2.662 118.331 115.700 -0.053 0.000 2.572 375 S HA -0.059 4.411 4.470 -0.000 0.000 0.267 375 S C 1.095 175.749 174.600 0.090 0.000 1.361 375 S CA 0.041 58.293 58.200 0.086 0.000 1.009 375 S CB 1.442 64.701 63.200 0.098 0.000 0.888 375 S HN 0.624 nan 8.310 nan 0.000 0.553 376 S N 0.683 116.446 115.700 0.106 0.000 2.400 376 S HA -0.102 4.368 4.470 -0.000 0.000 0.232 376 S C 1.649 176.276 174.600 0.045 0.000 1.025 376 S CA 1.577 59.819 58.200 0.069 0.000 0.993 376 S CB -1.105 62.136 63.200 0.068 0.000 0.808 376 S HN 1.031 nan 8.310 nan 0.000 0.478 377 T N -1.687 112.910 114.554 0.071 0.000 3.330 377 T HA 0.555 4.905 4.350 -0.000 0.000 0.249 377 T C 1.197 175.888 174.700 -0.016 0.000 0.980 377 T CA 0.606 62.747 62.100 0.068 0.000 0.920 377 T CB 0.028 68.982 68.868 0.143 0.000 1.065 377 T HN 0.534 nan 8.240 nan 0.000 0.588 378 G N 1.538 110.279 108.800 -0.099 0.000 3.079 378 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.214 378 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.214 378 G C -0.097 174.618 174.900 -0.307 0.000 1.335 378 G CA -0.395 44.531 45.100 -0.290 0.000 0.822 378 G HN 0.550 nan 8.290 nan 0.000 0.545 379 F N 2.506 122.329 119.950 -0.212 0.000 2.563 379 F HA 0.456 4.983 4.527 -0.000 0.000 0.363 379 F C 1.110 176.775 175.800 -0.224 0.000 1.123 379 F CA 0.521 58.309 58.000 -0.354 0.000 1.307 379 F CB 0.706 39.360 39.000 -0.576 0.000 1.115 379 F HN 0.175 nan 8.300 nan 0.000 0.592 380 K N 2.492 122.910 120.400 0.030 0.000 2.378 380 K HA 0.229 4.549 4.320 -0.000 0.000 0.288 380 K C -0.572 176.093 176.600 0.108 0.000 1.057 380 K CA 0.029 56.358 56.287 0.069 0.000 0.971 380 K CB 0.063 32.651 32.500 0.147 0.000 0.975 380 K HN 0.800 nan 8.250 nan 0.000 0.475 381 T N 2.750 117.237 114.554 -0.113 0.000 2.858 381 T HA 0.596 4.946 4.350 -0.000 0.000 0.285 381 T C -0.725 173.918 174.700 -0.096 0.000 1.052 381 T CA -1.124 60.906 62.100 -0.117 0.000 1.009 381 T CB 1.392 70.139 68.868 -0.202 0.000 1.241 381 T HN 0.502 nan 8.240 nan 0.000 0.542 382 R N -0.507 120.040 120.500 0.079 0.000 2.535 382 R HA 0.376 4.716 4.340 -0.000 0.000 0.274 382 R C -1.645 174.802 176.300 0.246 0.000 1.090 382 R CA -0.710 55.519 56.100 0.214 0.000 0.930 382 R CB 1.605 31.976 30.300 0.118 0.000 1.223 382 R HN 0.740 nan 8.270 nan 0.000 0.441 383 H N 2.283 121.505 119.070 0.252 0.000 2.742 383 H HA 0.073 4.629 4.556 -0.000 0.000 0.302 383 H C 0.698 176.130 175.328 0.175 0.000 1.069 383 H CA 0.005 56.174 56.048 0.201 0.000 1.446 383 H CB 0.559 30.392 29.762 0.119 0.000 1.462 383 H HN 0.576 nan 8.280 nan 0.000 0.499 384 F N 3.209 123.222 119.950 0.106 0.000 2.063 384 F HA -0.347 4.180 4.527 -0.000 0.000 0.298 384 F C 1.684 177.602 175.800 0.197 0.000 1.109 384 F CA 2.141 60.219 58.000 0.130 0.000 1.212 384 F CB 0.063 39.112 39.000 0.082 0.000 0.973 384 F HN 0.665 nan 8.300 nan 0.000 0.480 385 D N -0.275 120.369 120.400 0.407 0.000 2.149 385 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 385 D C 2.445 178.770 176.300 0.042 0.000 0.990 385 D CA 1.219 55.328 54.000 0.180 0.000 0.839 385 D CB -0.361 40.539 40.800 0.168 0.000 0.948 385 D HN 0.355 nan 8.370 nan 0.000 0.460 386 R N -0.114 120.434 120.500 0.079 0.000 2.090 386 R HA 0.046 4.386 4.340 -0.000 0.000 0.228 386 R C 2.493 178.798 176.300 0.009 0.000 1.110 386 R CA 0.381 56.508 56.100 0.045 0.000 0.973 386 R CB -0.077 30.271 30.300 0.080 0.000 0.869 386 R HN 0.205 nan 8.270 nan 0.000 0.440 387 I N -0.032 120.515 120.570 -0.039 0.000 2.142 387 I HA -0.294 3.876 4.170 -0.000 0.000 0.240 387 I C 2.166 178.190 176.117 -0.155 0.000 1.078 387 I CA 1.255 62.488 61.300 -0.112 0.000 1.343 387 I CB -0.276 37.623 38.000 -0.169 0.000 1.046 387 I HN -0.029 nan 8.210 nan 0.000 0.405 388 V N 0.871 120.623 119.914 -0.270 0.000 2.282 388 V HA -0.378 3.742 4.120 -0.000 0.000 0.249 388 V C 2.188 178.252 176.094 -0.050 0.000 1.057 388 V CA 2.513 64.698 62.300 -0.192 0.000 1.032 388 V CB -0.754 30.938 31.823 -0.218 0.000 0.645 388 V HN 0.508 nan 8.190 nan 0.000 0.447 389 D N -0.425 119.961 120.400 -0.024 0.000 2.144 389 D HA -0.219 4.421 4.640 -0.000 0.000 0.199 389 D C 2.179 178.510 176.300 0.052 0.000 0.984 389 D CA 1.482 55.496 54.000 0.023 0.000 0.834 389 D CB -0.065 40.751 40.800 0.027 0.000 0.955 389 D HN 0.592 nan 8.370 nan 0.000 0.465 390 E N -0.603 119.622 120.200 0.042 0.000 2.077 390 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 390 E C 2.049 178.725 176.600 0.127 0.000 0.989 390 E CA 1.215 57.655 56.400 0.066 0.000 0.800 390 E CB 0.076 29.795 29.700 0.031 0.000 0.746 390 E HN 0.156 nan 8.360 nan 0.000 0.452 391 V N 0.954 120.931 119.914 0.106 0.000 2.287 391 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 391 V C 2.553 178.870 176.094 0.371 0.000 1.053 391 V CA 2.128 64.562 62.300 0.223 0.000 1.027 391 V CB -0.834 31.082 31.823 0.154 0.000 0.646 391 V HN 0.325 nan 8.190 nan 0.000 0.447 392 Q N 1.115 121.034 119.800 0.198 0.000 2.062 392 Q HA -0.182 4.157 4.340 -0.000 0.000 0.209 392 Q C 2.190 178.323 176.000 0.222 0.000 0.996 392 Q CA 2.568 58.471 55.803 0.167 0.000 0.859 392 Q CB -1.176 27.607 28.738 0.075 0.000 0.920 392 Q HN 0.568 nan 8.270 nan 0.000 0.415 393 G N -0.596 108.311 108.800 0.177 0.000 2.440 393 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 393 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 393 G C 1.335 176.337 174.900 0.169 0.000 1.154 393 G CA 0.746 45.928 45.100 0.137 0.000 0.767 393 G HN 0.484 nan 8.290 nan 0.000 0.552 394 F N 0.651 120.658 119.950 0.095 0.000 2.095 394 F HA 0.004 4.531 4.527 -0.000 0.000 0.298 394 F C 2.305 178.179 175.800 0.124 0.000 1.104 394 F CA 1.392 59.438 58.000 0.078 0.000 1.232 394 F CB -0.241 38.828 39.000 0.115 0.000 0.987 394 F HN 0.111 nan 8.300 nan 0.000 0.475 395 F N 1.284 121.365 119.950 0.219 0.000 2.126 395 F HA -0.192 4.335 4.527 -0.000 0.000 0.299 395 F C 2.432 178.221 175.800 -0.018 0.000 1.096 395 F CA 2.118 60.172 58.000 0.090 0.000 1.255 395 F CB -0.769 38.315 39.000 0.141 0.000 0.997 395 F HN 0.047 nan 8.300 nan 0.000 0.479 396 E N -0.276 120.021 120.200 0.162 0.000 2.058 396 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 396 E C 2.328 178.886 176.600 -0.069 0.000 0.997 396 E CA 1.603 58.032 56.400 0.049 0.000 0.801 396 E CB -0.436 29.289 29.700 0.040 0.000 0.746 396 E HN 0.166 nan 8.360 nan 0.000 0.450 397 V N 1.451 121.259 119.914 -0.177 0.000 2.282 397 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 397 V C 2.175 177.992 176.094 -0.463 0.000 1.057 397 V CA 1.982 64.071 62.300 -0.352 0.000 1.032 397 V CB -0.650 30.874 31.823 -0.499 0.000 0.645 397 V HN 0.371 nan 8.190 nan 0.000 0.447 398 H N -0.121 118.725 119.070 -0.373 0.000 2.363 398 H HA -0.015 4.541 4.556 -0.000 0.000 0.301 398 H C 2.602 177.821 175.328 -0.182 0.000 1.074 398 H CA 1.292 57.121 56.048 -0.366 0.000 1.354 398 H CB -0.126 29.314 29.762 -0.538 0.000 1.397 398 H HN 0.308 nan 8.280 nan 0.000 0.516 399 R N 1.041 121.540 120.500 -0.002 0.000 2.082 399 R HA -0.064 4.276 4.340 -0.000 0.000 0.234 399 R C 2.469 178.762 176.300 -0.011 0.000 1.136 399 R CA 1.168 57.285 56.100 0.028 0.000 0.935 399 R CB -1.234 29.105 30.300 0.065 0.000 0.842 399 R HN 0.309 nan 8.270 nan 0.000 0.430 400 A N 0.887 123.682 122.820 -0.042 0.000 2.032 400 A HA -0.118 4.202 4.320 -0.000 0.000 0.221 400 A C 2.281 179.826 177.584 -0.066 0.000 1.165 400 A CA 1.321 53.326 52.037 -0.054 0.000 0.645 400 A CB -0.481 18.477 19.000 -0.070 0.000 0.807 400 A HN 0.245 nan 8.150 nan 0.000 0.453 401 L N -1.938 119.229 121.223 -0.094 0.000 2.529 401 L HA 0.211 4.551 4.340 -0.000 0.000 0.223 401 L C 1.690 178.539 176.870 -0.036 0.000 1.113 401 L CA 0.534 55.321 54.840 -0.088 0.000 0.861 401 L CB 0.029 41.992 42.059 -0.161 0.000 1.012 401 L HN 0.574 nan 8.230 nan 0.000 0.461 402 G N 0.665 109.458 108.800 -0.011 0.000 2.143 402 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.248 402 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.248 402 G C 0.403 175.332 174.900 0.047 0.000 0.991 402 G CA 0.544 45.656 45.100 0.020 0.000 0.689 402 G HN 0.397 nan 8.290 nan 0.000 0.522 403 T N -2.973 111.614 114.554 0.054 0.000 2.897 403 T HA 0.589 4.939 4.350 -0.000 0.000 0.278 403 T C -0.090 174.677 174.700 0.111 0.000 0.981 403 T CA -0.238 61.931 62.100 0.115 0.000 0.973 403 T CB 2.033 70.981 68.868 0.132 0.000 1.092 403 T HN 0.551 nan 8.240 nan 0.000 0.543 404 H N 1.990 121.044 119.070 -0.027 0.000 2.556 404 H HA 0.413 4.969 4.556 -0.000 0.000 0.310 404 H C -2.491 172.582 175.328 -0.427 0.000 1.057 404 H CA -2.417 53.566 56.048 -0.109 0.000 1.264 404 H CB 0.914 30.681 29.762 0.010 0.000 1.404 404 H HN 0.312 nan 8.280 nan 0.000 0.462 405 P HA 0.107 nan 4.420 nan 0.000 0.271 405 P C 0.762 177.672 177.300 -0.650 0.000 1.380 405 P CA 0.112 62.623 63.100 -0.982 0.000 0.992 405 P CB 0.660 31.655 31.700 -1.174 0.000 1.230 406 G N 2.453 110.999 108.800 -0.424 0.000 2.551 406 G HA2 0.331 4.291 3.960 -0.000 0.000 0.216 406 G HA3 0.331 4.291 3.960 -0.000 0.000 0.216 406 G C 0.616 175.169 174.900 -0.579 0.000 1.137 406 G CA 0.444 45.309 45.100 -0.392 0.000 0.798 406 G HN 0.730 nan 8.290 nan 0.000 0.536 407 G N -0.759 107.679 108.800 -0.603 0.000 2.349 407 G HA2 0.475 4.435 3.960 -0.000 0.000 0.294 407 G HA3 0.475 4.435 3.960 -0.000 0.000 0.294 407 G C -1.565 173.023 174.900 -0.521 0.000 1.380 407 G CA -0.440 44.025 45.100 -1.059 0.000 0.811 407 G HN 0.710 nan 8.290 nan 0.000 0.519 408 I N -2.542 117.789 120.570 -0.397 0.000 2.785 408 I HA 0.794 4.964 4.170 -0.000 0.000 0.302 408 I C -1.203 174.821 176.117 -0.154 0.000 1.069 408 I CA -1.161 60.025 61.300 -0.190 0.000 1.045 408 I CB 2.723 40.720 38.000 -0.004 0.000 1.236 408 I HN 0.554 nan 8.210 nan 0.000 0.429 409 H N 4.226 123.160 119.070 -0.227 0.000 2.727 409 H HA 0.758 5.314 4.556 -0.000 0.000 0.330 409 H C -1.843 173.376 175.328 -0.183 0.000 0.986 409 H CA -0.674 55.237 56.048 -0.228 0.000 1.251 409 H CB 1.990 31.567 29.762 -0.308 0.000 1.493 409 H HN 0.585 nan 8.280 nan 0.000 0.515 410 V N 4.784 124.795 119.914 0.162 0.000 3.007 410 V HA 0.289 4.409 4.120 -0.000 0.000 0.311 410 V C -0.692 175.436 176.094 0.057 0.000 1.120 410 V CA -0.763 61.562 62.300 0.041 0.000 0.980 410 V CB 2.548 34.374 31.823 0.005 0.000 1.033 410 V HN 0.769 nan 8.190 nan 0.000 0.429 411 E N 4.929 125.126 120.200 -0.006 0.000 2.145 411 E HA 0.711 5.061 4.350 -0.000 0.000 0.270 411 E C -0.914 175.689 176.600 0.004 0.000 0.906 411 E CA -0.316 56.092 56.400 0.014 0.000 0.761 411 E CB 2.178 31.874 29.700 -0.007 0.000 1.116 411 E HN 0.642 nan 8.360 nan 0.000 0.408 412 I N -1.150 119.427 120.570 0.012 0.000 3.181 412 I HA 0.711 4.881 4.170 -0.000 0.000 0.311 412 I C -0.980 175.131 176.117 -0.010 0.000 1.287 412 I CA -0.695 60.603 61.300 -0.003 0.000 0.958 412 I CB 2.663 40.657 38.000 -0.010 0.000 1.294 412 I HN 0.388 nan 8.210 nan 0.000 0.467 413 T N 0.605 115.145 114.554 -0.023 0.000 2.883 413 T HA 0.562 4.912 4.350 -0.000 0.000 0.301 413 T C 0.460 175.121 174.700 -0.064 0.000 1.158 413 T CA 0.060 62.142 62.100 -0.030 0.000 1.007 413 T CB 1.688 70.579 68.868 0.039 0.000 1.186 413 T HN 1.006 nan 8.240 nan 0.000 0.499 414 G N 1.296 110.036 108.800 -0.101 0.000 2.920 414 G HA2 0.206 4.165 3.960 -0.000 0.000 0.208 414 G HA3 0.206 4.165 3.960 -0.000 0.000 0.208 414 G C 0.301 175.153 174.900 -0.080 0.000 1.159 414 G CA 0.102 45.131 45.100 -0.118 0.000 0.784 414 G HN 0.613 nan 8.290 nan 0.000 0.535 415 E N 0.280 120.460 120.200 -0.033 0.000 2.283 415 E HA 0.251 4.601 4.350 -0.000 0.000 0.267 415 E C -0.129 176.452 176.600 -0.030 0.000 1.045 415 E CA -0.562 55.827 56.400 -0.019 0.000 0.884 415 E CB 0.640 30.348 29.700 0.014 0.000 1.106 415 E HN -0.072 nan 8.360 nan 0.000 0.408 416 N N 1.484 120.167 118.700 -0.029 0.000 2.807 416 N HA 0.103 4.843 4.740 -0.000 0.000 0.259 416 N C -1.175 174.312 175.510 -0.037 0.000 1.149 416 N CA 0.055 53.087 53.050 -0.029 0.000 1.042 416 N CB 0.436 38.911 38.487 -0.021 0.000 1.367 416 N HN 0.110 nan 8.380 nan 0.000 0.516 417 V N 1.167 121.053 119.914 -0.047 0.000 2.966 417 V HA 0.505 4.625 4.120 -0.000 0.000 0.317 417 V C 0.601 176.655 176.094 -0.066 0.000 1.070 417 V CA -0.293 61.968 62.300 -0.066 0.000 1.008 417 V CB 2.010 33.780 31.823 -0.089 0.000 1.070 417 V HN 0.613 nan 8.190 nan 0.000 0.457 433 A N -0.727 121.859 122.820 -0.391 0.000 2.343 433 A HA 0.473 4.793 4.320 -0.000 0.000 0.223 433 A C 1.788 179.287 177.584 -0.143 0.000 1.214 433 A CA 0.848 52.639 52.037 -0.409 0.000 0.900 433 A CB -0.046 18.932 19.000 -0.036 0.000 0.942 433 A HN 0.347 nan 8.150 nan 0.000 0.507 434 G N 0.379 109.116 108.800 -0.105 0.000 2.433 434 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.216 434 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.216 434 G C 0.993 175.875 174.900 -0.030 0.000 1.186 434 G CA 0.382 45.455 45.100 -0.046 0.000 0.779 434 G HN 0.427 nan 8.290 nan 0.000 0.543 435 R N -0.815 119.659 120.500 -0.043 0.000 2.585 435 R HA 0.257 4.597 4.340 -0.000 0.000 0.278 435 R C -1.720 174.565 176.300 -0.025 0.000 1.663 435 R CA -0.506 55.577 56.100 -0.028 0.000 1.592 435 R CB 0.691 30.966 30.300 -0.041 0.000 1.200 435 R HN 0.322 nan 8.270 nan 0.000 0.611 436 Y N 1.316 121.543 120.300 -0.122 0.000 2.404 436 Y HA 0.164 4.714 4.550 -0.000 0.000 0.344 436 Y C 0.489 176.380 175.900 -0.015 0.000 0.970 436 Y CA 0.249 58.294 58.100 -0.092 0.000 1.180 436 Y CB 0.862 39.244 38.460 -0.130 0.000 1.138 436 Y HN 0.420 nan 8.280 nan 0.000 0.510 437 E N 1.581 121.621 120.200 -0.267 0.000 2.743 437 E HA -0.035 4.315 4.350 -0.000 0.000 0.222 437 E C 1.449 177.894 176.600 -0.258 0.000 0.959 437 E CA 0.246 56.534 56.400 -0.186 0.000 1.198 437 E CB 0.809 30.420 29.700 -0.149 0.000 1.100 437 E HN 0.718 nan 8.360 nan 0.000 0.518 438 T N 0.051 114.395 114.554 -0.349 0.000 2.708 438 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 438 T C 1.561 176.162 174.700 -0.164 0.000 1.037 438 T CA 2.397 64.350 62.100 -0.244 0.000 1.146 438 T CB -0.159 68.555 68.868 -0.256 0.000 0.865 438 T HN 0.325 nan 8.240 nan 0.000 0.435 439 A N -1.815 120.918 122.820 -0.145 0.000 3.797 439 A HA -0.160 4.160 4.320 -0.000 0.000 0.251 439 A C 1.665 179.394 177.584 0.241 0.000 0.963 439 A CA 1.387 53.355 52.037 -0.116 0.000 1.494 439 A CB -2.170 16.634 19.000 -0.326 0.000 0.978 439 A HN 0.766 nan 8.150 nan 0.000 0.821 440 C N -1.638 117.756 119.300 0.156 0.000 3.820 440 C HA 0.579 5.039 4.460 -0.000 0.000 0.114 440 C C -0.576 174.511 174.990 0.161 0.000 2.978 440 C CA 0.673 59.805 59.018 0.190 0.000 1.374 440 C CB -0.409 27.418 27.740 0.145 0.000 2.883 440 C HN 0.620 nan 8.230 nan 0.000 0.467 441 D N 2.750 123.224 120.400 0.123 0.000 2.304 441 D HA 0.313 4.953 4.640 -0.000 0.000 0.247 441 D C -2.415 173.913 176.300 0.046 0.000 1.089 441 D CA -1.054 53.015 54.000 0.115 0.000 0.910 441 D CB 0.625 41.501 40.800 0.127 0.000 1.199 441 D HN 0.320 nan 8.370 nan 0.000 0.426 442 P HA 0.099 nan 4.420 nan 0.000 0.269 442 P C -0.675 176.608 177.300 -0.028 0.000 1.252 442 P CA -0.362 62.731 63.100 -0.012 0.000 0.780 442 P CB 0.236 31.991 31.700 0.092 0.000 0.829 443 R N 3.077 123.538 120.500 -0.065 0.000 2.543 443 R HA 0.301 4.640 4.340 -0.000 0.000 0.277 443 R C 0.478 176.767 176.300 -0.019 0.000 1.074 443 R CA -0.572 55.507 56.100 -0.036 0.000 1.076 443 R CB -0.499 29.780 30.300 -0.035 0.000 0.993 443 R HN 0.387 nan 8.270 nan 0.000 0.459 444 L N 2.989 124.220 121.223 0.014 0.000 2.485 444 L HA 0.022 4.362 4.340 -0.000 0.000 0.275 444 L C 0.698 177.572 176.870 0.007 0.000 1.207 444 L CA -0.205 54.663 54.840 0.046 0.000 0.855 444 L CB -0.063 42.057 42.059 0.101 0.000 1.114 444 L HN 0.801 nan 8.230 nan 0.000 0.485 445 N N -0.026 118.670 118.700 -0.007 0.000 2.322 445 N HA 0.005 4.745 4.740 -0.000 0.000 0.270 445 N C 0.941 176.430 175.510 -0.034 0.000 1.286 445 N CA 0.019 53.052 53.050 -0.028 0.000 0.948 445 N CB -0.149 38.316 38.487 -0.037 0.000 1.164 445 N HN 0.645 nan 8.380 nan 0.000 0.551 446 T N -1.315 113.209 114.554 -0.050 0.000 2.592 446 T HA -0.378 3.972 4.350 -0.000 0.000 0.267 446 T C 1.619 176.260 174.700 -0.099 0.000 1.060 446 T CA 2.459 64.513 62.100 -0.076 0.000 1.167 446 T CB -0.544 68.278 68.868 -0.077 0.000 0.863 446 T HN 0.603 nan 8.240 nan 0.000 0.431 447 Q N -0.054 119.710 119.800 -0.060 0.000 2.096 447 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 447 Q C 2.606 178.562 176.000 -0.073 0.000 0.982 447 Q CA 2.009 57.790 55.803 -0.037 0.000 0.850 447 Q CB -0.115 28.667 28.738 0.074 0.000 0.901 447 Q HN 0.725 nan 8.270 nan 0.000 0.422 448 Q N -0.860 118.910 119.800 -0.050 0.000 2.123 448 Q HA -0.111 4.229 4.340 -0.000 0.000 0.199 448 Q C 2.193 178.297 176.000 0.174 0.000 0.966 448 Q CA 1.444 57.237 55.803 -0.016 0.000 0.845 448 Q CB 0.077 28.825 28.738 0.015 0.000 0.907 448 Q HN 0.437 nan 8.270 nan 0.000 0.439 449 S N 0.240 115.980 115.700 0.066 0.000 2.402 449 S HA -0.118 4.352 4.470 -0.000 0.000 0.229 449 S C 1.866 176.461 174.600 -0.008 0.000 1.021 449 S CA 0.606 58.837 58.200 0.051 0.000 0.974 449 S CB -0.237 62.964 63.200 0.001 0.000 0.800 449 S HN 0.163 nan 8.310 nan 0.000 0.484 450 L N 2.025 123.170 121.223 -0.130 0.000 2.005 450 L HA 0.057 4.397 4.340 -0.000 0.000 0.207 450 L C 2.846 179.636 176.870 -0.133 0.000 1.072 450 L CA 2.168 56.853 54.840 -0.258 0.000 0.744 450 L CB -0.858 40.784 42.059 -0.695 0.000 0.895 450 L HN 0.462 nan 8.230 nan 0.000 0.433 451 E N -0.615 119.493 120.200 -0.153 0.000 2.070 451 E HA -0.311 4.039 4.350 -0.000 0.000 0.197 451 E C 2.230 178.925 176.600 0.160 0.000 1.004 451 E CA 1.742 58.131 56.400 -0.019 0.000 0.805 451 E CB -0.277 29.490 29.700 0.113 0.000 0.744 451 E HN 0.320 nan 8.360 nan 0.000 0.451 452 L N 0.643 122.035 121.223 0.280 0.000 2.079 452 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 452 L C 2.222 179.142 176.870 0.084 0.000 1.081 452 L CA 2.165 57.114 54.840 0.182 0.000 0.752 452 L CB -0.649 41.477 42.059 0.112 0.000 0.896 452 L HN 0.230 nan 8.230 nan 0.000 0.433 453 A N -0.915 121.934 122.820 0.047 0.000 1.877 453 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 453 A C 2.130 179.672 177.584 -0.071 0.000 1.186 453 A CA 1.878 53.898 52.037 -0.028 0.000 0.620 453 A CB -1.141 17.804 19.000 -0.092 0.000 0.822 453 A HN 0.455 nan 8.150 nan 0.000 0.443 454 F N 0.101 119.987 119.950 -0.107 0.000 2.120 454 F HA -0.204 4.323 4.527 -0.000 0.000 0.300 454 F C 2.145 177.943 175.800 -0.003 0.000 1.095 454 F CA 1.712 59.659 58.000 -0.088 0.000 1.249 454 F CB -0.428 38.375 39.000 -0.328 0.000 0.995 454 F HN 0.111 nan 8.300 nan 0.000 0.480 455 L N -1.038 120.295 121.223 0.183 0.000 2.093 455 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 455 L C 2.223 179.097 176.870 0.007 0.000 1.085 455 L CA 0.563 55.489 54.840 0.143 0.000 0.755 455 L CB -0.723 41.430 42.059 0.157 0.000 0.904 455 L HN -0.030 nan 8.230 nan 0.000 0.435 456 V N -0.127 119.770 119.914 -0.029 0.000 2.453 456 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 456 V C 2.760 178.733 176.094 -0.201 0.000 1.048 456 V CA 1.460 63.682 62.300 -0.129 0.000 1.049 456 V CB -0.794 31.026 31.823 -0.005 0.000 0.672 456 V HN 0.435 nan 8.190 nan 0.000 0.457 457 A N -0.354 122.389 122.820 -0.128 0.000 1.892 457 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 457 A C 1.477 179.007 177.584 -0.091 0.000 1.188 457 A CA 1.261 53.224 52.037 -0.124 0.000 0.631 457 A CB -0.383 18.560 19.000 -0.094 0.000 0.822 457 A HN 0.540 nan 8.150 nan 0.000 0.447 461 R N 0.395 120.849 120.500 -0.076 0.000 2.148 461 R HA -0.017 4.323 4.340 -0.000 0.000 0.223 461 R C -0.017 176.270 176.300 -0.021 0.000 1.088 461 R CA 0.805 56.879 56.100 -0.043 0.000 0.985 461 R CB 0.035 30.321 30.300 -0.022 0.000 0.880 461 R HN 0.332 nan 8.270 nan 0.000 0.451 462 D N 0.000 120.385 120.400 -0.026 0.000 6.856 462 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 462 D CA 0.000 53.998 54.000 -0.004 0.000 0.868 462 D CB 0.000 40.789 40.800 -0.018 0.000 0.688 462 D HN 0.000 nan 8.370 nan 0.000 0.683